Seocalcitol

Summary

Seocalcitol (CHEMBL1908376) is a phase-3 clinical-stage small molecule targeting VDR; indicated across 1 condition including hepatocellular carcinoma.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Targets: 1 (VDR)
• Indications: 1 condition
• Clinical trials: 2
• Chemistry: 454.7 Da · C30H46O3

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL1908376
Name	Seocalcitol
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	5288149
Molecular formula	C30H46O3
Molecular weight	454.7
InChIKey	LVLLALCJVJNGQQ-SEODYNFXSA-N

SMILES: CCC(CC)(/C=C/C=C/[C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O

IUPAC name: trans-(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,3E,5E)-7-ethyl-7-hydroxynona-3,5-dien-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Also known as: CB-1089, Eb-1089, Seocalcitol, SEOCALCITOL, seocalcitol

Patent coverage: 79 distinct patent families (163 SureChEMBL compound mentions), from 1 matched compound structure(s). Mentions count patents naming the compound (not distinct inventions), so promiscuous / reference molecules inflate the mention figure — families are the dedup metric.

Targets

Targets

Primary targets (GtoPdb curated mechanism): the Cancer dependency column is the DepMap CRISPR fitness signal (% of screened cell lines dependent on the target).

Gene	Target	Action	pAffinity	Cancer dependency	UniProt
VDR	Vitamin D receptor	Agonist	9.6	0.2%	P11473

Broader ChEMBL bioactivity targets: 1 (assay-derived). Sample: Vitamin D3 receptor.

Bioactivity

ChEMBL activities: 1 potent at pChembl ≥ 5 of 1 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
VDR	6.96	EC50	110	nM	CHEMBL_ACT_26335900

Target pathways

Aggregated over 1 target gene(s): VDR.

Top Reactome pathways

3 total, by targets touching each:

Pathway	Targets	Genes
Vitamin D (calciferol) metabolism	1	VDR
Nuclear Receptor transcription pathway	1	VDR
SUMOylation of intracellular receptors	1	VDR

Dominant GO biological processes

GO term	Targets
negative regulation of transcription by RNA polymerase II	1
cell morphogenesis	1
skeletal system development	1
calcium ion transport	1
intracellular calcium ion homeostasis	1
lactation	1
negative regulation of cell population proliferation	1
positive regulation of gene expression	1
negative regulation of keratinocyte proliferation	1
cell differentiation	1
positive regulation of bone mineralization	1
intracellular receptor signaling pathway	1
phosphate ion transmembrane transport	1
nuclear receptor-mediated bile acid signaling pathway	1
mRNA transcription by RNA polymerase II	1

Indications & clinical

Indications

1 indication (0 at ChEMBL trial phase 4). Phase below is the highest clinical-trial phase recorded for this drug against each disease — not the molecule’s overall approval status (that is in the Summary).

Indication	Trial phase	MONDO	EFO
hepatocellular carcinoma	3	MONDO:0007256	EFO:0000182

Clinical trials

Total trials: 2.

Phase distribution

Phase	Trials
PHASE3	1
Not specified	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00051545	PHASE3	TERMINATED	Seocalcitol Versus Placebo in the Adjuvant Treatment of Hepatocellular Carcinoma
NCT00051532	Not specified	TERMINATED	Seocalcitol Versus Placebo in Advanced Hepatocellular Carcinoma

Clinical evidence (CIViC)

No CIViC predictive evidence (expected for non-precision-medicine drugs).

Pharmacology

Pharmacogenomics

No PharmGKB pharmacogenomic data curated for this drug.

Related molecules

Related molecules

Molecules sharing ≥1 of this drug’s curated primary targets, merged from two biobtree sources and ranked by shared-target count, then clinical phase: ChEMBL clinical-stage candidates (development phase ≥2) and PubChem drug-class bioactivity (approved / known drugs acting on the target). Deduplicated by drug name; the drug’s own salt forms are excluded. Note: for a drug with few primary targets a shared-target match can reflect off-target / promiscuous binding rather than the same therapeutic mechanism — the phase ordering surfaces bona-fide therapeutics first.

9 molecules share ≥1 primary target. Top 9 by shared-target count:

Molecule	Source	Status	Shared targets
CALCIPOTRIENE	ChEMBL	Phase 4 (approved)	VDR
CALCITRIOL	ChEMBL	Phase 4 (approved)	VDR
CHOLECALCIFEROL	ChEMBL	Phase 4 (approved)	VDR
DOXERCALCIFEROL	ChEMBL	Phase 4 (approved)	VDR
TACALCITOL	ChEMBL	Phase 4 (approved)	VDR
CURCUMIN	ChEMBL	Phase 3	VDR
MAXACALCITOL	ChEMBL	Phase 3	VDR
TAUROLITHOCHOLIC ACID	ChEMBL	Phase 3	VDR
chenodiol	PubChem	Approved	VDR