General Information of Drug (ID: DMTW79H)

Drug Name
GSK683699
Synonyms
4-Aminobutanoic acid; 4-aminobutyric acid; GABA; gamma-aminobutyric acid; 1956/12/2; Piperidic acid; Piperidinic acid; Aminalon; Mielogen; Gammalon; Gaballon; butanoic acid, 4-amino-; Mielomade; Gammalone; Gamarex; Gammasol; Gammar; Reanal; Immu-G; gamma-amino-n-butyric acid; gamma-Aminobutanoic acid; Butyric acid, 4-amino-; Gamastan; Gammagee; Gamulin; 4-aminobutyrate; omega-Aminobutyric acid; gamma-Aminobutyric acid; 3-Carboxypropylamine; gamma-Aminobuttersaeure; 4-amino-butanoic acid; gamma-Amino butyric acid; GAMMA-AMINO-BUTANOIC ACID
Indication
Disease Entry ICD 11 Status REF
Inflammatory bowel disease DD72 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 103.12
Topological Polar Surface Area (xlogp) -3.2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C4H9NO2
IUPAC Name
4-aminobutanoic acid
Canonical SMILES
C(CC(=O)O)CN
InChI
InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKey
BTCSSZJGUNDROE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
119
ChEBI ID
CHEBI:16865
CAS Number
56-12-2
DrugBank ID
DB02530
TTD ID
D0C9XA
VARIDT ID
DR00831
INTEDE ID
DR0087

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
GABA transporter GAT-1 (SLC6A1) TTPRKM0 SC6A1_HUMAN Inhibitor [2]
GABA transporter-3 (SLC6A11) TT8RXO5 S6A11_HUMAN Inhibitor [3]
GABA(A) receptor alpha-1 (GABRA1) TT1MPAY GBRA1_HUMAN Inhibitor [4]
GABA(A) receptor alpha-2 (GABRA2) TTBMV1G GBRA2_HUMAN Inhibitor [5]
GABA(A) receptor alpha-3 (GABRA3) TT37EDJ GBRA3_HUMAN Inhibitor [5]
GABA(A) receptor alpha-5 (GABRA5) TTNZPQ1 GBRA5_HUMAN Inhibitor [5]
GABA(A) receptor beta-2 (GABRB2) TTZA1NY GBRB2_HUMAN Inhibitor [4]
GABA(A) receptor gamma-2 (GABRG2) TT06RH5 GBRG2_HUMAN Inhibitor [4]
Gamma-aminobutyric acid B receptor (GABBR) TTDCVZW GABR1_HUMAN; GABR2_HUMAN Inhibitor [6]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [4]
Integrin alpha-4 (ITGA4) TT4BT06 ITA4_HUMAN Binder [1]

Drug Transporter (DTP)
DTP Name DTP ID UniProt ID MOA REF
Vesicular inhibitory amino acid transporter (SLC32A1) DTXQYLR VIAAT_HUMAN Substrate [7]
Sodium- and chloride-dependent GABA transporter 1 (SLC6A1) DT8Z563 SC6A1_HUMAN Substrate [8]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 2D6 (CYP2D6)
Main DME
DECB0K3 CP2D6_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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