Phyto4Health

Gamma-Aminobutyric Acid

Representations & DB's id
ChEBI: CHEBI:16865
ChEMBL: CHEMBL96
PubChem: 119
IUPAC: 4-aminobutanoic acid
Standard InChI: InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
Standard InChI Key: BTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES: NCCCC(=O)O

Molecular propeties
AlogP: -0.19
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 3
Number of rings: 0
Molecular Weight: 103.06
Topological polar surface area: 63.3
Number of aromatic rings: 0
Fsp3: 0.75
Number of carbons: 4

Plant sources

Part of plant Plant name Ref.
PlantSolanum dulcamara
PlantRhaponticum carthamoides

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
EC501190 nMGABA receptor rho-1 subunitP24046
EC50800 nMGABA receptor rho-1 subunitP24046
EC501700 nMGABA-B receptor 1Q9UBS5
Potency5623.4 nMPrelamin-A/CP02545
Potency7.9 nMPrelamin-A/CP02545
Potency79.4 nMHistone-lysine N-methyltransferase MLLQ03164
Potency31622.8 nMThyroid stimulating hormone receptorP16473
Potency19952.6 nMThyroid hormone receptor beta-1P10828
Potency3.5 nMBloom syndrome proteinP54132
Potency3.5 nMBloom syndrome proteinP54132
Potency31622.8 nMNeuropeptide S receptorQ6W5P4
Potency1457.5 nMATPase family AAA domain-containing protein 5Q96QE3
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
Potency4109.2 nMDopamine D1 receptorP21728
Potency2377.8 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency28183.8 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency2818.4 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency631 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Ki4000000 nMProton-coupled amino acid transporter 1Q7Z2H8
Potency1122 nMGemininO75496
Potency1122 nMTranscriptional regulator ERGP11308
EC50269.15 nMGABA receptor rho-1 subunitP24046
EC50270 nMGABA receptor rho-1 subunitP24046
EC501000 nMGABA receptor rho-1 subunitP24046
EC50270 nMGABA receptor rho-1 subunitP24046
EC50269.15 nMGABA receptor rho-1 subunitP24046