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
• #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]

References

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