General
Preferred name
IPSAPIRONE
Synonyms
TVX Q 7821 (free base) ()
Ipsapirona ()
BAY-Q-7821 ()
Ipsapirone hcl ()
BAY Q 7821 ()
IPSAPIRONE HYDROCHLORIDE ()
Ipsapirone (hydrochloride) ()
P&D ID
PD013102
CAS
95847-70-4
92589-98-5
Tags
available
drug candidate
Drug indication
Anxiety disorder
Anti-Anxiety Agent
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Involved in uterine contraction and lactation (Tocris Bioactive Compound Library)
DESCRIPTION Selective 5-HT1A agonist (Tocriscreen Total)
DESCRIPTION Ipsapirone is a selective partial agonist of the serotonin (5-HT) receptor 5-HT1A. Its Ki value is 10 nM in hippocampal membranes. It reduces 5-HT release in rat ventral hippocampus in vivo. It also inhibits passive avoidance behavior and foot shock-induced aggression in rats. It has anxiolytic effects in vivo. It has been used to treat borderline personality disorder and depression. (BOC Sciences Bioactive Compounds)
Compound Sets
15
BOC Sciences Bioactive Compounds
ipsapirone-cas-95847-70-4-item-77018
Cayman Chemical Bioactives
22075
39918
ChEMBL Drugs
CHEMBL8412
CHEMBL2107276
Drug Repurposing Hub
DrugMAP
DMEJU1L
DrugMatrix
Guide to Pharmacology
42
Ki Database
Ipsapirone
IPSAPIRONE
MedChem Express Bioactive Compound Library
HY-19686
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Tocris Bioactive Compound Library
1869
Tocriscreen Total
External IDs
35
Properties
(calculated by RDKit )
Molecular Weight
401.15
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
0
Rotatable Bonds
6
Ring Count
4
Aromatic Ring Count
2
cLogP
1.22
TPSA
86.71
Fraction CSP3
0.42
Chiral centers
0.0
Largest ring
6.0
QED
0.67
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Primary Target
5-HT1A Receptors
MOA
Agonist
HTR1A agonist
5-HT1A Receptor Agonists
ADRA1B gene modulator
serotonin receptor agonist
Member status
virtual
Target
HTR1A
5-HT Receptor
Pathway
GPCR/G protein
Neuronal Signaling
Source data