Details of the Drug

General Information of Drug (ID: DMWDBHC)

• Drug Name: 4-Hydroxy-3-methyl-but-2-enoic acid
• Synonyms: 44647-19-0; (E)-4-hydroxy-3-methylbut-2-enoic acid; CHEMBL353481; SCHEMBL6282205; SCHEMBL8370948; 4-hydroxy-3-methylcrotonic acid; 3-(Hydroxymethyl)-2-butenoic acid; 4-hydroxy-3-methylbut-2-enoic acid; AKOS013086986; FCH4103824; FCH2609833; BBV-37850347; (E)-4-Hydroxy-3-methyl-2-butenoic acid; (2E)-4-hydroxy-3-methylbut-2-enoic acid

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
  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-hydroxy-3-methylbut-2-enoic acid
  Canonical SMILES: C/C(=C\\C(=O)O)/CO
  InChI: InChI=1S/C5H8O3/c1-4(3-6)2-5(7)8/h2,6H,3H2,1H3,(H,7,8)/b4-2+
  InChIKey: BERUOTKXCOOJJM-DUXPYHPUSA-N
• Cross-matching ID:
  PubChem CID: 11389379
  TTD ID: D06VNT
  VARIDT ID: DR01074

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.