Details of the Drug

General Information of Drug (ID: DMA3OI4)

• Drug Name: US9359293, TA
• Synonyms: SCHEMBL18103200; CHEMBL3892393; BDBM234205; US9359293, TA
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 399.5
  Logarithm of the Partition Coefficient (xlogp); 3.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H25N3O3S
  IUPAC Name: phenyl N-[1-anilino-6-(ethanethioylamino)-1-oxohexan-2-yl]carbamate
  Canonical SMILES: CC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2
  InChI: InChI=1S/C21H25N3O3S/c1-16(28)22-15-9-8-14-19(20(25)23-17-10-4-2-5-11-17)24-21(26)27-18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3,(H,22,28)(H,23,25)(H,24,26)
  InChIKey: KPDAUKDFHIWNQM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122580129
  TTD ID: D0PL1I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
NAD-dependent deacetylase sirtuin-2 (SIRT2)	TTLKF5M	SIR2_HUMAN	Inhibitor	[1]

References

• [1] Methods of treatment using modulators of SIRT2. US9359293.