PANK1

Summary

PANK1 (pantothenate kinase 1, HGNC:8598) is a protein-coding gene on chromosome 10q23.31, encoding Pantothenate kinase 1 (Q8TE04). Catalyzes the phosphorylation of pantothenate to generate 4’-phosphopantothenate in the first and rate-determining step of coenzyme A (CoA) synthesis.

This gene encodes a member of the pantothenate kinase family. Pantothenate kinases are key regulatory enzymes in the biosynthesis of coenzyme A (CoA). The encoded protein catalyzes the first and rate-limiting enzymatic reaction in CoA biosynthesis and is regulated by CoA through feedback inhibition. Alternatively spliced transcript variants encoding multiple isoforms have been observed for this gene. This gene and an intronic miRNA on the same strand are co-regulated by the tumor suppressor p53 (see PMID 20833636).

Source: NCBI Gene 53354 — RefSeq curated summary.

At a glance

• GWAS associations: 4
• Clinical variants (ClinVar): 41 total
• Druggable target: yes
• MANE Select transcript: NM_148977

Identifiers

Gene identifiers

Field	Value
HGNC ID	HGNC:8598
Approved symbol	PANK1
Name	pantothenate kinase 1
Location	10q23.31
Locus type	gene with protein product
Status	Approved
Aliases	MGC24596, PANK1a, PANK1b
Ensembl gene	ENSG00000152782
Ensembl biotype	protein_coding
OMIM	606160
Entrez	53354

Gene structure

Transcript identifiers

Ensembl transcripts: 6 — 4 protein_coding, 2 protein_coding_CDS_not_defined

ENST00000307534, ENST00000322191, ENST00000342512, ENST00000461829, ENST00000488482, ENST00000874690

RefSeq mRNA: 3 — MANE Select: NM_148977 NM_138316, NM_148977, NM_148978

CCDS: CCDS31244, CCDS7405, CCDS7406

Canonical transcript exons

ENST00000307534 — 7 exons

Exon	Start	End
ENSE00000932806	89593197	89593320
ENSE00000986468	89593813	89593989
ENSE00001007094	89611696	89612048
ENSE00001007098	89599252	89599505
ENSE00001263347	89644600	89645242
ENSE00001685161	89588652	89588777
ENSE00004014151	89582988	89584465

Expression profiles

Bgee: expression breadth ubiquitous, 237 present calls, max score 96.08.

FANTOM5 (CAGE): breadth ubiquitous, TPM avg 4.7741 / max 87.8372, expressed in 1400 samples.

FANTOM5 promoters (6 alternative TSS)

Promoter ID	TPM avg	Samples expressed
110601	2.0468	1083
110602	1.8168	837
110599	0.5404	261
110598	0.1607	76
110597	0.1455	43
110600	0.0639	17

Top tissues by expression

255 total, by Bgee expression score (0-100, higher = more expressed):

Tissue	Anatomy ID	Expression score	Quality
kidney epithelium	UBERON:0004819	96.08	gold quality
ileal mucosa	UBERON:0000331	95.33	gold quality
jejunal mucosa	UBERON:0000399	94.12	gold quality
liver	UBERON:0002107	93.75	gold quality
right lobe of liver	UBERON:0001114	91.96	gold quality
renal medulla	UBERON:0000362	89.79	gold quality
colonic mucosa	UBERON:0000317	89.73	gold quality
mucosa of sigmoid colon	UBERON:0004993	88.81	gold quality
duodenum	UBERON:0002114	88.48	gold quality
upper leg skin	UBERON:0004262	88.21	gold quality
rectum	UBERON:0001052	87.79	gold quality
vastus lateralis	UBERON:0001379	87.73	gold quality
adult mammalian kidney	UBERON:0000082	87.71	gold quality
kidney	UBERON:0002113	87.66	gold quality
quadriceps femoris	UBERON:0001377	86.79	gold quality
Brodmann (1909) area 23	UBERON:0013554	86.75	gold quality
esophagus squamous epithelium	UBERON:0006920	86.18	gold quality
embryo	UBERON:0000922	85.54	gold quality
ganglionic eminence	UBERON:0004023	85.54	gold quality
mammalian vulva	UBERON:0000997	85.14	gold quality
ventricular zone	UBERON:0003053	85.09	gold quality
cortical plate	UBERON:0005343	84.93	gold quality
primordial germ cell in gonad	CL:0000670 ∩ UBERON:0000991	84.54	gold quality
deltoid	UBERON:0001476	84.50	gold quality
mucosa of transverse colon	UBERON:0004991	84.35	gold quality
jejunum	UBERON:0002115	84.16	gold quality
left ventricle myocardium	UBERON:0006566	84.06	silver quality
upper arm skin	UBERON:0004263	83.65	gold quality
hindlimb stylopod muscle	UBERON:0004252	83.16	gold quality
skeletal muscle organ	UBERON:0014892	82.26	gold quality

Single-cell (SCXA)

Detected in 1 experiment(s), a significant marker in 0.

Experiment	Marker?	Max mean expression
E-ANND-3	no	4.53

Regulation

Is transcription factor: no

Upstream regulators (CollecTRI, top): PPARA, TP53

miRNA regulators (miRDB)

187 targeting PANK1, top 30 by miRDB confidence (max_score; target_count = how many genes the miRNA targets in total — lower means more specific):

miRNA	Max score	Avg score	miRNA target_count
HSA-MIR-3646	100.00	73.56	5283
HSA-MIR-5692A	100.00	74.40	6850
HSA-MIR-4533	100.00	69.48	2758
HSA-MIR-513A-5P	100.00	69.77	2465
HSA-MIR-190A-3P	100.00	80.35	5520
HSA-MIR-4668-3P	100.00	68.74	2635
HSA-MIR-548C-3P	99.99	74.01	7587
HSA-MIR-150-5P	99.99	66.69	1976
HSA-MIR-27A-3P	99.98	72.13	2955
HSA-MIR-27B-3P	99.98	72.13	2955
HSA-MIR-9985	99.98	72.11	2939
HSA-MIR-520D-5P	99.98	73.34	4883
HSA-MIR-524-5P	99.98	73.43	4882
HSA-MIR-548P	99.98	72.25	3784
HSA-MIR-32-5P	99.98	75.21	1964
HSA-MIR-92A-3P	99.98	75.21	1960
HSA-MIR-92B-3P	99.98	75.25	1955
HSA-MIR-5696	99.98	72.36	4487
HSA-MIR-4775	99.98	75.00	6394
HSA-MIR-25-3P	99.98	74.60	1817
HSA-MIR-363-3P	99.98	74.72	1821
HSA-MIR-367-3P	99.98	74.83	1819
HSA-MIR-3688-3P	99.97	72.02	2834
HSA-MIR-607	99.97	73.62	5593
HSA-MIR-548AN	99.97	70.91	2817
HSA-MIR-1250-3P	99.96	70.04	4038
HSA-MIR-551B-5P	99.96	71.28	3493
HSA-MIR-3658	99.96	73.87	4379
HSA-MIR-6778-3P	99.96	67.29	2693
HSA-MIR-9-3P	99.96	70.88	2068

Literature-anchored findings (GeneRIF, showing 8)

• molecular cloning and characterization of a new human PanK gene (PMID:11809413)
• alternative splicing product (PMID:12379284)
• PPARalpha transcription factor as a major factor governing hepatic CoA levels by specific modulation of PANK1alpha gene expression (PMID:14523052)
• analysis of the homodimeric structures of the catalytic cores of PanK1alpha and PanK3 in complex with acetyl-CoA and the the structural effects of the PanK2 mutations that have been implicated in neurodegeneration (PMID:17631502)
• PANK deficiency leads to abnormalities in F-actin organization. (PMID:22912811)
• p53 plays an important role in regulating energy homeostasis through transcriptional control of PANK1. (PMID:23343762)
• Pantothenate Kinase 1 Inhibits the Progression of Hepatocellular Carcinoma by Negatively Regulating Wnt/beta-catenin Signaling. (PMID:35280671)
• Expression and Prognostic Role of PANK1 in Glioma. (PMID:37138430)

Cross-species orthologs

5 orthologs

Organism	Symbol	Gene ID
danio_rerio	pank1a	ENSDARG00000008192
danio_rerio	pank1b	ENSDARG00000010098
mus_musculus	Pank1	ENSMUSG00000033610
rattus_norvegicus	Pank1	ENSRNOG00000018944
drosophila_melanogaster	fbl	FBGN0011205

Paralogs (3): PANK3 (ENSG00000120137), PANK2 (ENSG00000125779), PANK4 (ENSG00000157881)

Protein

Protein identifiers

Pantothenate kinase 1 — Q8TE04 (reviewed: Q8TE04)

Alternative names: Pantothenic acid kinase 1

All UniProt accessions (2): Q8TE04, A0A8C8KBT8

UniProt curated annotations — full annotation on UniProt →

Function. Catalyzes the phosphorylation of pantothenate to generate 4’-phosphopantothenate in the first and rate-determining step of coenzyme A (CoA) synthesis.

Subunit / interactions. Homodimer.

Subcellular location. Cytoplasm Nucleus. Nucleus. Nucleolus Cytoplasm. Cytosol. Cytoplasmic vesicle. Clathrin-coated vesicle. Recycling endosome.

Tissue specificity. Expressed at high levels in brain, heart, kidney, liver, skeletal muscle and testis. Detected at much lower levels in kidney, liver, brain and testis and not detected in heart or skeletal muscle.

Activity regulation. Regulated by feedback inhibition by CoA and its thioesters.

Domain organisation. The N-terminal extension, may be the regulatory domain.

Induction. Induced by bezafibrate, a hypolipidemic drug which acts as an agonist of peroxisome proliferator activator receptor alpha (PPARA), while isoform 2 levels decrease slightly.

Pathway. Cofactor biosynthesis; coenzyme A biosynthesis; CoA from (R)-pantothenate: step 1/5.

Similarity. Belongs to the type II pantothenate kinase family.

Isoforms (4)

UniProt ID	Names	Canonical?
Q8TE04-1	1, PanK1-alpha, PANK1a	yes
Q8TE04-2	2, PANK1a, PanK1-beta
Q8TE04-3	3, PANK1b
Q8TE04-4	4, PanK1-gamma

RefSeq proteins (3): NP_612189, NP_683878, NP_683879 (=MANE)

Domains & families (InterPro)

ID	Name	Type
IPR004567	Type_II_PanK	Family
IPR043129	ATPase_NBD	Homologous_superfamily

Pfam: PF03630

Enzyme classification (BRENDA):

• EC 2.7.1.33 — pantothenate kinase (BRENDA: 34 organisms, 95 substrates, 317 inhibitors, 102 Km, 58 kcat entries)

Substrate kinetics (BRENDA)

39 substrates with measured Km, best-characterized 15. Km ranges are aggregated across organisms/conditions.

Substrate	Km (mM)	Measurements
ATP	0.0031–9.59	31
(R)-PANTOTHENATE	0.0057–0.833	14
PANTOTHENATE	0.009–1.3	13
(2S)-3-ETHYL-2-HYDROXY-3-(HYDROXYMETHYL)-N-[3-OX	0.59–1.2	2
N-HEPTYLPANTOTHENAMIDE	0.008–0.124	2
N-PENTYLPANTOTHENAMIDE	0.003–0.14	2
PANTOTHENOL	0.25–0.28	2
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-(3-OXO-3-[[(PI	1	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-(3-OXO-3-[[2-(	1	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-(3-OXO-3-[[2-(	0.11	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-(3-[[2-OXO-2-(	1.2	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-(3-[[3-(MORPHO	0.35	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-[(1-PENTYL-1H-	0.19	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-[3-(1-PROPYL-1	1	1
(2R)-2,4-DIHYDROXY-3,3-DIMETHYL-N-[3-OXO-3-(PENT	0.036	1

Catalyzed reactions (Rhea), 1 shown:

• (R)-pantothenate + ATP = (R)-4’-phosphopantothenate + ADP + H(+) (RHEA:16373)

UniProt features (56 total): strand 18, helix 18, turn 5, splice variant 4, binding site 3, chain 1, region of interest 1, mutagenesis site 1, sequence conflict 1, short sequence motif 1, compositionally biased region 1, active site 1, modified residue 1

Structure

Experimental structures (PDB)

2 structures.

PDB	Method	Resolution (Å)
2I7N	X-RAY DIFFRACTION	1.9
3SMP	X-RAY DIFFRACTION	1.9

Predicted structure (AlphaFold)

Model	pLDDT	Fraction very-high
AF-Q8TE04-F1	72.59	0.55

Functional residue map

Curated UniProt residues grouped by drug-discovery relevance — catalytic, ligand-binding, modification, and mutation-validated positions. Source: UniProtKB sequence features.

Catalytic / active sites (1): 363 (proton acceptor)

Ligand- & substrate-binding residues (3): 417; 420; 432

Post-translational modifications (1): 215

Mutagenesis-validated functional residues (1):

Position	Phenotype
218–233	loss of nuclear localization.

Function

Pathways and Gene Ontology

Reactome pathways

1 pathways

ID	Pathway
R-HSA-196783	Coenzyme A biosynthesis

MSigDB gene sets: 187 (showing top): RNGTGGGC_UNKNOWN, GOBP_COENZYME_A_METABOLIC_PROCESS, GRAESSMANN_APOPTOSIS_BY_DOXORUBICIN_DN, GOBP_ORGANOPHOSPHATE_METABOLIC_PROCESS, TGACCTY_ERR1_Q2, GOBP_NUCLEOSIDE_PHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_ORGANOPHOSPHATE_BIOSYNTHETIC_PROCESS, GOBP_NUCLEOBASE_CONTAINING_SMALL_MOLECULE_METABOLIC_PROCESS, TCF4_Q5, GOBP_SULFUR_COMPOUND_BIOSYNTHETIC_PROCESS, MARTINEZ_RB1_TARGETS_DN, GOBP_AMIDE_METABOLIC_PROCESS, GOBP_AMIDE_BIOSYNTHETIC_PROCESS, GOCC_COATED_VESICLE, LYF1_01

GO Biological Process (1): coenzyme A biosynthetic process (GO:0015937)

GO Molecular Function (7): pantothenate kinase activity (GO:0004594), ATP binding (GO:0005524), protein homodimerization activity (GO:0042803), acetyl-CoA binding (GO:1905502), nucleotide binding (GO:0000166), kinase activity (GO:0016301), transferase activity (GO:0016740)

GO Cellular Component (9): nucleus (GO:0005634), nucleolus (GO:0005730), cytoplasm (GO:0005737), cytosol (GO:0005829), clathrin-coated vesicle (GO:0030136), recycling endosome (GO:0055037), endosome (GO:0005768), cytoplasmic vesicle (GO:0031410), cell periphery (GO:0071944)

Reactome top-level categories

Rollup of top-1 pathways:

Category	Pathways
Vitamin B5 (pantothenate) metabolism	1

GO top-level categories

Rollup of top GO terms by namespace:

Category	Terms
cellular anatomical structure	3
cytoplasm	2
coenzyme A metabolic process	1
sulfur compound biosynthetic process	1
purine-containing compound biosynthetic process	1
nucleoside phosphate biosynthetic process	1
kinase activity	1
phosphotransferase activity, alcohol group as acceptor	1
adenyl ribonucleotide binding	1
purine ribonucleoside triphosphate binding	1
identical protein binding	1
protein dimerization activity	1
acyl-CoA binding	1
nucleoside phosphate binding	1
heterocyclic compound binding	1
transferase activity, transferring phosphorus-containing groups	1
catalytic activity	1
intracellular membrane-bounded organelle	1
nuclear lumen	1
intracellular membraneless organelle	1
intracellular anatomical structure	1
coated vesicle	1
endosome	1
endomembrane system	1
cytoplasmic vesicle	1
intracellular vesicle	1

Protein interactions and networks

STRING

805 interactions, top by confidence (×1000):

Protein A	Protein B	Partner UniProt	Score
PANK1	COASY	Q13057	795
PANK1	PPCDC	Q96CD2	763
PANK1	PPCS	Q9HAB8	756
PANK1	FTL	P02792	743
PANK1	PLA2G6	O60733	733
PANK1	SLC16A12	Q6ZSM3	570
PANK1	FBL	P22087	493
PANK1	SMC4	Q9NTJ3	489
PANK1	PPAN	Q9NQ55	480
PANK1	NUDT7	P0C024	463
PANK1	CDK6	Q00534	423
PANK1	C19orf12	Q9NSK7	410
PANK1	DCAF17	Q5H9S7	398
PANK1	NUDT19	A8MXV4	391
PANK1	DDIAS	Q8IXT1	391

IntAct

3 interactions, top by confidence:

A	B	Type	Score
YWHAZ	PANK1	psi-mi:“MI:0915”(physical association)	0.400
SCD	PANK1	psi-mi:“MI:0914”(association)	0.350

BioGRID (7): PANK1 (Affinity Capture-MS), ACADM (Two-hybrid), PANK1 (Co-fractionation), NENF (Co-fractionation), PANK1 (Cross-Linking-MS (XL-MS)), PANK1 (Affinity Capture-RNA), PANK1 (Reconstituted Complex)

ESM2 similar proteins: A0A5N6H279, A4D2B8, D3ZML2, O76081, O91531, P03327, P0C678, P0C733, P79348, Q00731, Q09PK2, Q13670, Q1HVB5, Q1ZZU3, Q4KL35, Q4R1S1, Q52993, Q5JLA7, Q5JN07, Q5MFW3, Q63553, Q64902, Q6DN03, Q6NUI1, Q6P050, Q6SW81, Q86UQ5, Q8AZJ3, Q8BG31, Q8BVZ5, Q8CE90, Q8CEZ0, Q8K3M5, Q8LN49, Q8N5Z5, Q8TE04, Q8VDU5, Q8WTX9, Q8WXT5, Q9BTV7

Diamond homologs: O74962, O80765, Q04430, Q08DA5, Q0J035, Q4R4U1, Q5R5F8, Q69TF4, Q7M753, Q80YV4, Q8K4K6, Q8L5Y9, Q8R2W9, Q8TE04, Q923S8, Q9BZ23, Q9H999, Q9NVE7, Q8EN08, B7H5Z8, B7IKP3, Q736G1, Q81C81, Q949P3, Q2FEZ8, Q2FWC7, Q2YUM3, Q5HE70, Q5HM92, Q6G7I0, Q6GEU5, Q7A4D4, Q8CRM3, Q8NVG0, Q99SC8, B7JSQ5, Q49Z76, Q4L811, Q63A51, Q6HHK0

SIGNOR signaling

0 interactions.

Disease & clinical

Clinical variants and AI predictions

ClinVar

41 variants total. Per-class counts are floors (≥ shown; pagination cap):

Classification	Count (floor)
Pathogenic	0
Likely pathogenic	0
Uncertain significance	32
Likely benign	0
Benign	0

Top pathogenic / likely-pathogenic (0)

SpliceAI

1596 predictions. Top by Δscore:

Variant	Effect	Δscore
10:89584461:TAACC:T	acceptor_gain	1.0000
10:89584464:CC:C	acceptor_gain	1.0000
10:89584465:CC:C	acceptor_gain	1.0000
10:89584465:CCTAC:C	acceptor_loss	1.0000
10:89584467:T:A	acceptor_loss	1.0000
10:89588645:AACCT:A	donor_loss	1.0000
10:89588646:ACCTA:A	donor_loss	1.0000
10:89588647:CCTA:C	donor_loss	1.0000
10:89588648:CTACC:C	donor_loss	1.0000
10:89588649:TA:T	donor_loss	1.0000
10:89588651:C:CA	donor_loss	1.0000
10:89593316:CAAAG:C	acceptor_gain	1.0000
10:89593321:C:CC	acceptor_gain	1.0000
10:89593323:A:C	acceptor_gain	1.0000
10:89599359:CGG:C	donor_gain	1.0000
10:89599504:ATCTA:A	acceptor_loss	1.0000
10:89599506:CTAA:C	acceptor_loss	1.0000
10:89599507:T:C	acceptor_loss	1.0000
10:89611695:CCATT:C	donor_gain	1.0000
10:89612045:AATG:A	acceptor_gain	1.0000
10:89612046:ATG:A	acceptor_gain	1.0000
10:89612047:TG:T	acceptor_gain	1.0000
10:89612047:TGC:T	acceptor_loss	1.0000
10:89612048:GCTA:G	acceptor_loss	1.0000
10:89612049:C:CC	acceptor_gain	1.0000
10:89612050:T:A	acceptor_loss	1.0000
10:89634944:T:TA	donor_gain	1.0000
10:89634945:C:A	donor_gain	1.0000
10:89635647:T:A	donor_gain	1.0000
10:89635685:T:C	donor_gain	1.0000

AlphaMissense

3896 scored. Top likely-pathogenic:

Variant	Protein change	am_pathogenicity
10:89584446:C:T	G586E	1.000
10:89584447:C:A	G586W	1.000
10:89584447:C:G	G586R	1.000
10:89584447:C:T	G586R	1.000
10:89588690:A:G	S567P	1.000
10:89588693:A:G	W566R	1.000
10:89588693:A:T	W566R	1.000
10:89588745:A:C	F548L	1.000
10:89588745:A:T	F548L	1.000
10:89588747:A:G	F548L	1.000
10:89588752:C:A	G546V	1.000
10:89588752:C:T	G546E	1.000
10:89588753:C:G	G546R	1.000
10:89588753:C:T	G546R	1.000
10:89593208:C:G	A534P	1.000
10:89593216:C:G	R531P	1.000
10:89593219:G:T	A530D	1.000
10:89593220:C:G	A530P	1.000
10:89593228:C:T	G527D	1.000
10:89593233:G:C	N525K	1.000
10:89593233:G:T	N525K	1.000
10:89593259:C:G	A517P	1.000
10:89593264:G:T	A515D	1.000
10:89593267:A:G	L514P	1.000
10:89593315:C:T	G498D	1.000
10:89593316:C:G	G498R	1.000
10:89593317:A:C	F497L	1.000
10:89593317:A:T	F497L	1.000
10:89593319:A:G	F497L	1.000
10:89593319:A:T	F497I	1.000

dbSNP variants (sampled 300 via entrez): RS1000108144 (10:89583711 G>A,C,T), RS1000169241 (10:89593349 C>A,G,T), RS1000225933 (10:89645149 T>C), RS1000228905 (10:89624083 G>A), RS1000288814 (10:89601865 G>C,T), RS1000299358 (10:89644865 C>G,T), RS1000316720 (10:89636597 G>A,T), RS1000345129 (10:89608475 T>C), RS1000346113 (10:89600602 C>T), RS1000347262 (10:89642441 G>A), RS1000398815 (10:89586952 C>A,T), RS1000462003 (10:89642607 C>A,T), RS1000477248 (10:89607015 G>A), RS1000554122 (10:89632039 C>T), RS1000569655 (10:89613268 G>T)

Disease associations

OMIM: gene MIM:606160 | disease phenotypes:

GenCC curated gene-disease

Mondo (0):

Orphanet (0):

HPO phenotypes

0 total (0 of 0 shown, HPO-id order):

GWAS associations

4 associations (top):

Study	Trait	p-value
GCST000292_8	Metabolic traits	3.000000e-07
GCST012202_4	Distal/Left-sided colorectal cancer	8.000000e-09
GCST012205_5	Distal colorectal cancer	1.000000e-06
GCST90002400_713	Plateletcrit	6.000000e-10

EFO canonical traits (2, from GWAS)

EFO ID	Trait name
EFO:0004467	insulin measurement
EFO:0007985	platelet crit

Drugs & pharmacology

Drug and pharmacology data

Is drug target: yes

ChEMBL targets (1): CHEMBL3407326 (SINGLE PROTEIN)

PharmGKB: 1 entry (VIP=true, CPIC=false)

PharmGKB variants

1 variants.

Variant	Genes	Level	Score	#Clin annots	Drugs
rs2296616	MIR107, PANK1		0.00	0

ChEMBL bioactivities

12 potent at pChembl≥5 of 16 total, top 12 by pChembl (potency: 10 = 0.1 nM, 6 = 1 µM).

pChembl	Type	Value	Unit	Molecule
7.16	IC50	70	nM	CHEMBL3410246
6.85	IC50	140	nM	CHEMBL3410246
6.72	IC50	190	nM	CHEMBL3410398
6.62	IC50	240	nM	CHEMBL3410256
6.55	IC50	280	nM	CHEMBL1555019
6.26	IC50	550	nM	CHEMBL3410257
6.19	IC50	640	nM	CHEMBL3410400
6.07	IC50	850	nM	CHEMBL3410249
5.91	IC50	1220	nM	CHEMBL3410252
5.80	IC50	1570	nM	CHEMBL3410253
5.49	IC50	3240	nM	CHEMBL3410248
5.17	IC50	6690	nM	CHEMBL3410395

PubChem BioAssay actives

12 with measured affinity, of 31 total; 11 most potent distinct compounds. Largely complementary to BindingDB; screening values are coarse (µM, 4 dp), so sub-nM hits tie at the floor.

Compound	Assay	Type	Value	Unit
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methylsulfanylphenyl)propanamide	1196663: Inhibition of purified human Pank1beta using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay	ic50	0.0700	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-[3-(trifluoromethyl)phenyl]propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.1900	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-fluorophenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.2400	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methoxyphenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.2800	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(2-fluorophenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.5500	uM
N-(4-acetamidophenyl)-3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.6400	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-phenylpropanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	0.8500	uM
N-(cyclohexylmethyl)-3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	1.2200	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(3-methylphenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	1.5700	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(4-methylsulfanylphenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	3.2400	uM
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-(4-methoxyphenyl)propanamide	1196666: Inhibition of Pank1beta (unknown origin) by Kinase Glo HTS assay	ic50	6.6900	uM

CTD chemical–gene interactions

57 total (human), top 30 by PubMed support.

Chemical	Actions (top 5)	PubMed papers
Valproic Acid	affects expression, decreases expression, decreases methylation	5
Formaldehyde	decreases expression, increases expression	3
Cyclosporine	decreases expression	3
sodium arsenite	decreases expression	2
Zoledronic Acid	decreases expression	2
Benzo(a)pyrene	decreases expression, increases methylation	2
Cisplatin	affects cotreatment, increases expression, decreases expression	2
Nickel	decreases expression	2
Fenofibrate	increases expression	2
Tobacco Smoke Pollution	decreases expression	2
aristolochic acid I	decreases expression	1
FR900359	increases phosphorylation	1
chloroacetaldehyde	decreases expression	1
methyleugenol	decreases expression	1
triphenyl phosphate	affects expression	1
pirinixic acid	affects binding, increases activity, increases expression	1
pantogab	decreases activity	1
coumarin	increases phosphorylation	1
beta-methylcholine	affects expression	1
adefovir dipivoxil	decreases expression	1
perfluorobutane	increases expression	1
monomethylarsonous acid	decreases expression	1
nutlin 3	affects cotreatment, increases expression	1
abrine	decreases expression	1
2-(1H-indazol-4-yl)-6-(4-methanesulfonylpiperazin-1-ylmethyl)-4-morpholin-4-ylthieno(3,2-d)pyrimidine	decreases expression, increases response to substance	1
jinfukang	affects cotreatment, increases expression	1
Sunitinib	increases expression	1
Cidofovir	decreases expression	1
Acetaminophen	decreases expression	1
Air Pollutants	decreases expression, increases abundance	1

ChEMBL screening assays

3 unique, capped per target: 3 binding

Representative assays (with source publication via chembl_document):

Assay ID	Type	Description	Source paper
CHEMBL3413787	Binding	Inhibition of purified human Pank1beta using d-[1-14C]pantothenate as substrate after 10 mins by radiochemical enzyme assay	A high-throughput screen reveals new small-molecule activators and inhibitors of pantothenate kinases. — J Med Chem

Cellosaurus cell lines

5 cell lines: 5 cancer cell line

First 10 cell lines (id-ordered, not curated):

Cellosaurus	Name	Category	Sex
CVCL_8052	537-mel	Cancer cell line	Male
CVCL_E2FV	HAP1 PANK1 (-) 1	Cancer cell line	Male
CVCL_E2FW	HAP1 PANK1 (-) 2	Cancer cell line	Male
CVCL_E2FX	HAP1 PANK1 (-) 3	Cancer cell line	Male
CVCL_N729	NCE-G 59	Cancer cell line	Male

Clinical trials (associated diseases)

0 trials via MONDO — disease-level, not drug-specific.