General
Preferred name
GR 127935
Synonyms
GR 127935 hydrochloride hydrate ()
GR 127935 hydrochloride ()
GR-127935 ()
GR127935 (hydrochloride) ()
P&D ID
PD016887
CAS
148642-42-6
148672-13-3
1049739-35-6
Tags
drug candidate
natural product
available
Drug indication
Major depressive disorder
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 Non-selective CCK antagonist; orally active (Tocris Bioactive Compound Library)
DESCRIPTION Selective 5-HT1B/1D serotonin receptor antagonist. (LOPAC library)
DESCRIPTION Potent, selective 5-HT1B/1D antagonist (Tocriscreen Total)
Cell lines
0
Organisms
5
Compound Sets
13
Axon Medchem Screening Library
1813
1079
BOC Sciences Bioactive Compounds
gr-127935-hydrochloride-cas-148642-42-6-item-301684
Cayman Chemical Bioactives
29651
Drug Repurposing Hub
DrugMAP
DM01HLX
Guide to Pharmacology
14
Ki Database
GR 127935
LOPAC library
LSP-MoA library (Laboratory of Systems Pharmacology)
CHEMBL15928
Mcule NIBR MoA Box Subset
MCULE-4711004202
Novartis Chemogenetic Library (NIBR MoA Box)
Tocris Bioactive Compound Library
1477
Tocriscreen Total
External IDs
34
Properties
(calculated by RDKit )
Molecular Weight
497.24
Hydrogen Bond Acceptors
7
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
5
Aromatic Ring Count
4
cLogP
5.03
TPSA
83.73
Fraction CSP3
0.28
Chiral centers
0.0
Largest ring
6.0
QED
0.4
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
5-HT1B/1D
Primary Target
5-HT1D Receptors
MOA
Antagonist
HTR1D antagonist
serotonin receptor antagonist
Member status
virtual
Target
HTR1A, HTR1B, HTR1D, HTR1E, HTR1F, HTR2A, HTR2B, HTR2C, HTR6
5-HT1B/1D antagonist
Source data