Details of the Drug

General Information of Drug (ID: DMW9P6U)

• Drug Name: ZINC915379
• Synonyms: CHEMBL2315467; BAS 02073268; SCHEMBL16409978; ZINC915379; BDBM50424850; AKOS000586084; MCULE-1228568202; 3-Benzylsulfanyl-5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazole
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 373.5
  Logarithm of the Partition Coefficient (xlogp); 4.9
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C22H19N3OS
  IUPAC Name: 3-benzylsulfanyl-5-(phenoxymethyl)-4-phenyl-1,2,4-triazole
  Canonical SMILES: C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=CC=C4
  InChI: InChI=1S/C22H19N3OS/c1-4-10-18(11-5-1)17-27-22-24-23-21(16-26-20-14-8-3-9-15-20)25(22)19-12-6-2-7-13-19/h1-15H,16-17H2
  InChIKey: SSZGXGUFAAHHAF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1162727
  TTD ID: D0F6NT

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] Small molecule activators of NRF2 pathway. US9737525.