GAMMA-AMINOBUTYRIC ACID

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2ACZ6IPC6I

Structure
InChI Key BTCSSZJGUNDROE-UHFFFAOYSA-N
Smile NCCCC(=O)O
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9NO2
Molecular Weight 103.12
AlogP -0.19
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 63.32
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 7.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Adhesion
- - 41.1 - -
Enzyme Hydrolase
- - - -
Enzyme Transferase
- - - - 4.81
Epigenetic regulator Eraser Histone deacetylase HDAC class I
- - - 8190 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa
- - - 8190 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - 8190 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IV
- - - 8190 -
Ion channel Ligand-gated ion channel GABA-A receptor
269.15-1190 13-50000 1700 25-2100000 -
Membrane receptor Family C G protein-coupled receptor Small molecule receptor (family C GPCR) Neurotransmitter receptor (family C GPCR) GABA-B receptor
1700 17-60 - - 75.3
Membrane receptor
1700 17-60 41.1 - 75.3
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
354000 851.14-181000 - - 61-95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 56.63
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC36 family of proton-coupled amino acid transporters
- - - 4000000 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 1 1 D003922 ClinicalTrials

Cross References

Resources Reference
ChEBI 59888
ChEMBL CHEMBL96
DrugBank DB02530
DrugCentral 1262
EPA CompTox DTXSID6035106
FDA SRS 2ACZ6IPC6I
Human Metabolome Database HMDB0000112
Guide to Pharmacology 1067
KEGG C00334
PDB ABU
SureChEMBL SCHEMBL4878
ZINC ZINC000001532620
CONTENTS