Details of the Drug

General Information of Drug (ID: DM5ZQK1)

Drug Name
4-Hydroxy-pent-2-enoic acid
Synonyms
CHEMBL171595; (E)-4-hydroxypent-2-enoic acid; YANJKPZKTWMMOF-NSCUHMNNSA-N; 4-Hydroxy-pent-2-enoic acid; trans-4-hydroxypent-2-enoic acid; AC1NSI5H; 4-hydroxy-2-pentenoic acid; SCHEMBL166635; 2-Pentenoic acid, 4-hydroxy-; BDBM50023574; (2E)-4-Hydroxy-2-pentenoic acid #; AKOS022632862
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): 0 Molecular Weight (mw) 116.11
Logarithm of the Partition Coefficient (xlogp) -0.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H8O3
IUPAC Name
(E)-4-hydroxypent-2-enoic acid
Canonical SMILES
CC(/C=C/C(=O)O)O
InChI
InChI=1S/C5H8O3/c1-4(6)2-3-5(7)8/h2-4,6H,1H3,(H,7,8)/b3-2+
InChIKey
YANJKPZKTWMMOF-NSCUHMNNSA-N
Cross-matching ID
PubChem CID
5363658
TTD ID
D00ENC
VARIDT ID
DR01079

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Gamma-hydroxybutyrate receptor (SLC52A2) TT6TKEN S52A2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Analogues of gamma-hydroxybutyric acid. Synthesis and binding studies. J Med Chem. 1988 May;31(5):893-7.