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Compound Detail

CHEMBL1204187

GEPIRONE HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC1(C)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1204187
Name GEPIRONE HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key DGOCVISYYYQFEP-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL284092
Active Moiety CHEMBL284092

Known Names

BMY 13805-1 BMY-13805-1 Exxua Gepirone hcl Gepirone hydrochloride ORG 33062 Org-33062 TGFK07AD Travivo
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
9
Known Names
1
Indications
1
Mechanisms

Molecular Properties

359.5
MW (Da)
1.55
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2023
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral

Flags

Black Box Warning
USAN Year 1985

Extended Properties

Molecular Formula C19H30ClN5O2
MW 395.94
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.31

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Serotonin 1a (5-HT1a) receptor agonist AGONIST 5-hydroxytryptamine receptor 1A ✓ ✓

Indications

Depressive Disorder, Major

Drug Warnings

Black Box Warning
psychiatric toxicity
Country: United States

Activity Summary

IC50 1 meas. best 6.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serotonin 1 (5-HT1) receptor
CHEMBL2095159
 IC50 6.17 6.17 670.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serotonin 1 (5-HT1) receptor IC50 = 670.0 nM 6.17 Binding affinity towards hippocampus 5-hydroxytryptamine 1 receptor was measured... 2874226

Literature References

PubMed DOI Target Context # Activities
2874226 10.1021/jm00158a026 Rattus norvegicus 5
2874226 10.1021/jm00158a026 D(2) dopamine receptor 1
2874226 10.1021/jm00158a026 Serotonin 1 (5-HT1) receptor 1
2874226 10.1021/jm00158a026 Serotonin 2 (5-HT2) receptor 1
12954186 10.1016/s0378-5173(03)00372-7 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine