Details of the Drug

General Information of Drug (ID: DMW905K)

• Drug Name: 9-mercapto-8-oxo-N-phenylnonanamide
• Synonyms: CHEMBL402451

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); 279.4
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H21NO2S
  IUPAC Name: 8-oxo-N-phenyl-9-sulfanylnonanamide
  Canonical SMILES: C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)CS
  InChI: InChI=1S/C15H21NO2S/c17-14(12-19)10-6-1-2-7-11-15(18)16-13-8-4-3-5-9-13/h3-5,8-9,19H,1-2,6-7,10-12H2,(H,16,18)
  InChIKey: UJRMRSNAFIQQLD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11964503
  TTD ID: D09LVY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase 8 (HDAC8)	TTT6LFV	HDAC8_HUMAN	Inhibitor	[1]

References

• [1] Histone deacetylase inhibitors: from bench to clinic. J Med Chem. 2008 Mar 27;51(6):1505-29.