Details of the Drug

General Information of Drug (ID: DMAOGBP)

Drug Name
2,4-Diamino-butyric acid(GABA)
Synonyms
2,4-Diaminobutanoic acid; 2,4-Diaminobutyric acid; 305-62-4; 2,4-Diamino-butyric acid; alpha,gamma-Diaminobutyric acid; 2,4-diamino-butanoic acid; DL-2,4-Diaminobutyric acid; Butanoic acid, 2,4-diamino-; CHEBI:64307; EINECS 206-166-2; Butyric acid, 2,4-diamino-; CHEMBL307931; OGNSCSPNOLGXSM-UHFFFAOYSA-N; Butanoic acid, 2,4-diamino-, (+)-; Butanoic acid, 2,4-diamino-, dihydrochloride; 6970-28-1; 2,4-Diaminobutyrate; 2,4-Diaminobutanoate; NSC41117; 2,4-diamino-butanoate; DL-2,4-Diaminobutanoate; AC1Q28UL; SCHEMBL34705
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 118.13
Logarithm of the Partition Coefficient (xlogp) -4.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C4H10N2O2
IUPAC Name
2,4-diaminobutanoic acid
Canonical SMILES
C(CN)C(C(=O)O)N
InChI
InChI=1S/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
InChIKey
OGNSCSPNOLGXSM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
470
ChEBI ID
CHEBI:64307
CAS Number
305-62-4
TTD ID
D09TTI

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 [1]
GABA transporter-3 (SLC6A11) TT8RXO5 S6A11_HUMAN Inhibitor [1]
Gamma-aminobutyric acid receptor (GAR) TTNJYV2 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
GABA transporter GAT-1 (SLC6A1) DTT SLC6A1 4.99E-02 -0.24 -0.62
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Glycine antagonists. Synthesis, structure, and biological effects of some bicyclic 5-isoxazolol zwitterions. J Med Chem. 1986 Feb;29(2):224-9.