Details of the Drug

General Information of Drug (ID: DMTFL5J)

• Drug Name: 4-Cyclohexyl-4-hydroxy-but-2-enoic acid
• Synonyms: CHEMBL171331; 4-cyclohexyl-4-hydroxybut-2-enoic acid; NSC400155; AC1NTOGK; AC1Q5T8F; BDBM50023573; AKOS022641700; NSC-400155; 4-Cyclohexyl-4-hydroxy-but-2-enoic acid; (E)-4-cyclohexyl-4-hydroxybut-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); 184.23
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H16O3
  IUPAC Name: (E)-4-cyclohexyl-4-hydroxybut-2-enoic acid
  Canonical SMILES: C1CCC(CC1)C(/C=C/C(=O)O)O
  InChI: InChI=1S/C10H16O3/c11-9(6-7-10(12)13)8-4-2-1-3-5-8/h6-9,11H,1-5H2,(H,12,13)/b7-6+
  InChIKey: CGIACWYLNZMXMN-VOTSOKGWSA-N
• Cross-matching ID:
  PubChem CID: 5385144
  TTD ID: D0V0FG
  VARIDT ID: DR01073

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.