General
Preferred name
gamma-Acetylinic GABA
Synonyms
Gamma-acetylenic GABA ()
P&D ID
PD015421
CAS
57659-38-8
Tags
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
GABA transaminase (GABA-T) inhibitor
(LOPAC library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
DrugMAP
LOPAC library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
18
Molecular Weight
127.06
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
0
Aromatic Ring Count
0
cLogP
-0.19
TPSA
63.32
Fraction CSP3
0.5
Chiral centers
1.0
Largest ring
0.0
QED
0.52
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Selectivity
GABA transaminase
Source data
