General
Preferred name
Cgp-11130
Synonyms
4-Amino-3-(4-fluoro-phenyl)-butyric acid ()
4-fluoro Phenibut (hydrochloride) ()
P&D ID
PD130882
CAS
52237-19-1
1858241-03-8
Tags
available
drug candidate
Drug indication
Discovery 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 Cgp-11130 is a GABAB receptor agonist which was never marketed. It is selective for the GABAB receptor over the GABAA receptor (IC50 = 1.70 μM and > 100 μM, respectively). (BOC Sciences Bioactive Compounds)
Compound Sets
3
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
DrugMAP
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
197.09
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
1.34
TPSA
63.32
Fraction CSP3
0.3
Chiral centers
1.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Solubility
Soluble in DMSO, not in water
Source data