Pexacerfont

Summary

Pexacerfont (CHEMBL482950) is a phase-3 clinical-stage small molecule targeting CRHR1; indicated across 3 conditions including irritable bowel syndrome and generalized anxiety disorder.

At a glance

• Status: Max clinical phase 3 (not approved)
• Modality: Small molecule
• Targets: 1 (CRHR1)
• Indications: 3 conditions
• Clinical trials: 5
• Chemistry: 340.4 Da · C18H24N6O

Identifiers

Drug identity and classification

Field	Value
ChEMBL ID	CHEMBL482950
Name	Pexacerfont
Type	Small molecule
Max phase	3
FDA approved	no
PubChem CID	9884366
Molecular formula	C18H24N6O
Molecular weight	340.4
InChIKey	LBWQSAZEYIZZCE-SNVBAGLBSA-N

SMILES: CC[C@@H](C)NC1=NC(=NC2=C(C(=NN21)C)C3=C(N=C(C=C3)OC)C)C

IUPAC name: N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methyl-3-pyridinyl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine

Also known as: BMS-562086, Bms562086, CRF1 ANTAGONIST, Dpc-a69448, Pexacerfont, PEXACERFONT

Patent coverage: 35 distinct patent families (91 SureChEMBL compound mentions), from 2 matched compound structure(s). One matched structure accounts for 87 (96%) of the total. 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
CRHR1	CRF1 receptor	Antagonist	6.47	0.4%	P34998

Broader ChEMBL bioactivity targets: 4 (assay-derived). Sample: Corticotropin-releasing factor receptor 1, Substance-K receptor, Adenosine receptor A1, Corticotropin-releasing factor receptor 1.

Bioactivity

ChEMBL activities: 8 potent at pChembl ≥ 5 of 8 total. Top 30 by potency (10 = 0.1 nM, 6 = 1 µM):

Target	pChembl	Type	Value	Unit	Activity ID
CRHR1	8.35	IC50	4.5	nM	CHEMBL_ACT_2528492
CRHR1	8.21	IC50	6.1	nM	CHEMBL_ACT_15455721
P35353	8.21	IC50	6.1	nM	CHEMBL_ACT_2528436
P35353	8.21	IC50	6.1	nM	CHEMBL_ACT_6301764
P35353	6.89	IC50	129	nM	CHEMBL_ACT_2528490
CRHR1	6.47	IC50	340	nM	CHEMBL_ACT_18000962
P25099	5.58	Ki	2660	nM	CHEMBL_ACT_2528478
TACR2	5.31	IC50	4900	nM	CHEMBL_ACT_2528479

Target pathways

Aggregated over 1 target gene(s): CRHR1.

Top Reactome pathways

2 total, by targets touching each:

Pathway	Targets	Genes
Class B/2 (Secretin family receptors)	1	CRHR1
G alpha (s) signalling events	1	CRHR1

Dominant GO biological processes

GO term	Targets
immune response	1
cell surface receptor signaling pathway	1
adenylate cyclase-activating G protein-coupled receptor signaling pathway	1
activation of adenylate cyclase activity	1
female pregnancy	1
parturition	1
adrenal gland development	1
exploration behavior	1
fear response	1
behavioral response to ethanol	1
corticotropin secretion	1
general adaptation syndrome, behavioral process	1
cellular response to corticotropin-releasing hormone stimulus	1
negative regulation of voltage-gated calcium channel activity	1
regulation of corticosterone secretion	1

Indications & clinical

Indications

3 indications (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
irritable bowel syndrome	2	MONDO:0005052	EFO:0000555
generalized anxiety disorder	2	MONDO:0001942	EFO:1001892
major depressive disorder	1	MONDO:0002009	MONDO:0002009

Clinical trials

Total trials: 5.

Phase distribution

Phase	Trials
PHASE2	2
PHASE2/PHASE3	1
PHASE1/PHASE2	1
EARLY_PHASE1	1

Top trials by phase / activity

NCT	Phase	Status	Title
NCT00481325	PHASE2/PHASE3	COMPLETED	Study of Pexacerfont (BMS-562086) in the Treatment of Outpatients With Generalized Anxiety Disorder
NCT00135421	PHASE1/PHASE2	COMPLETED	Study of BMS-562086 in the Treatment of Outpatients With Major Depressive Disorder
NCT00399438	PHASE2	COMPLETED	A Study of BMS-562086 in Patients With Irritable Bowel Syndrome
NCT01227980	PHASE2	COMPLETED	Corticotropin-Releasing Hormone Receptor 1 (CRH1) Antagonism in Anxious Alcoholics^
NCT01656577	EARLY_PHASE1	TERMINATED	Pexacerfont for Stress-induced Food Craving

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.

17 molecules share ≥1 primary target. Top 17 by shared-target count:

Molecule	Source	Status	Shared targets
CRINECERFONT	ChEMBL	Phase 4 (approved)	CRHR1
HYPERICIN	ChEMBL	Phase 3	CRHR1
EMICERFONT	ChEMBL	Phase 2	CRHR1
ONO-2333MS	ChEMBL	Phase 2	CRHR1
VERUCERFONT	ChEMBL	Phase 2	CRHR1
Aclidinium Bromide	PubChem	Approved	CRHR1
Alogliptin	PubChem	Approved	CRHR1
Belzutifan	PubChem	Approved	CRHR1
Bosentan	PubChem	Approved	CRHR1
Crizotinib	PubChem	Approved	CRHR1
Desloratadine	PubChem	Approved	CRHR1
Dihydroergotamine	PubChem	Approved	CRHR1
Fidaxomicin	PubChem	Approved	CRHR1
Methotrexate	PubChem	Approved	CRHR1
Propoxyphene	PubChem	Approved	CRHR1
Pyrazinamide	PubChem	Approved	CRHR1
Tiotropium Bromide Monohydrate	PubChem	Approved	CRHR1