Details of the Drug

General Information of Drug (ID: DM0NIB5)

• Drug Name: US9359293, TM
• Synonyms: SCHEMBL18103197; CHEMBL3940508; BDBM234208; US9359293, TM
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 567.8
  Logarithm of the Partition Coefficient (xlogp); 9.7
  Rotatable Bond Count (rotbonds); 22
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C33H49N3O3S
  IUPAC Name: phenyl N-[1-anilino-1-oxo-6-(tetradecanethioylamino)hexan-2-yl]carbamate
  Canonical SMILES: CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2
  InChI: InChI=1S/C33H49N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-31(40)34-27-20-19-25-30(32(37)35-28-21-14-12-15-22-28)36-33(38)39-29-23-16-13-17-24-29/h12-17,21-24,30H,2-11,18-20,25-27H2,1H3,(H,34,40)(H,35,37)(H,36,38)
  InChIKey: KNGBKXOOWUXHDK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 71533676
  TTD ID: D0MW0K

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.