Details of the Drug

General Information of Drug (ID: DM9P4LB)

• Drug Name: 6-(2-mercaptoacetamido)-N-phenylhexanamide
• Synonyms: CHEMBL178727; 6-(2-Mercaptoacetylamino)-N-Phenylhexanamide; 824970-14-1; 6-(2-mercaptoacetamido)-N-phenylhexanamide; 4cqf; SCHEMBL5998899; CTK3D8890; DTXSID50465903; ZINC13609328; BDBM50157884; AKOS030603047; N-phenyl-6-[(sulfanylacetyl)amino]hexanamide; N-Phenyl-6-[(mercaptoacetyl)amino]hexanamide; Hexanamide, 6-[(mercaptoacetyl)amino]-N-phenyl-; 6-(2-Mercapto-acetylamino)-hexanoic acid phenylamide

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); 280.39
  Logarithm of the Partition Coefficient (xlogp); 1.7
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H20N2O2S
  IUPAC Name: N-phenyl-6-[(2-sulfanylacetyl)amino]hexanamide
  Canonical SMILES: C1=CC=C(C=C1)NC(=O)CCCCCNC(=O)CS
  InChI: InChI=1S/C14H20N2O2S/c17-13(16-12-7-3-1-4-8-12)9-5-2-6-10-15-14(18)11-19/h1,3-4,7-8,19H,2,5-6,9-11H2,(H,15,18)(H,16,17)
  InChIKey: ICMLRCZXRBTKLJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11437457
  CAS Number: 824970-14-1
  TTD ID: D0R2HF

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.