Details of the Drug

General Information of Drug (ID: DMRQ2G4)

• Drug Name: US9359293, TB
• Synonyms: SCHEMBL18103198; CHEMBL3968962; BDBM234206; US9359293, TB
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 427.6
  Logarithm of the Partition Coefficient (xlogp); 4.3
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C23H29N3O3S
  IUPAC Name: phenyl N-[1-anilino-6-(butanethioylamino)-1-oxohexan-2-yl]carbamate
  Canonical SMILES: CCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OC2=CC=CC=C2
  InChI: InChI=1S/C23H29N3O3S/c1-2-11-21(30)24-17-10-9-16-20(22(27)25-18-12-5-3-6-13-18)26-23(28)29-19-14-7-4-8-15-19/h3-8,12-15,20H,2,9-11,16-17H2,1H3,(H,24,30)(H,25,27)(H,26,28)
  InChIKey: WGKXXIZEWYTERA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 122580127
  TTD ID: D0X9SE

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.