Details of the Drug

General Information of Drug (ID: DMUQI15)

• Drug Name: BDBM50363782
• Synonyms: CHEMBL1945264; CHEMBL1962780; BDBM50363782
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 477.4
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C21H25BrN4O2S
  IUPAC Name: 3-bromo-N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide
  Canonical SMILES: CN(C)CCCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=CC=C2)Br
  InChI: InChI=1S/C21H25BrN4O2S/c1-26(2)13-4-3-8-19(27)23-17-9-11-18(12-10-17)24-21(29)25-20(28)15-6-5-7-16(22)14-15/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,23,27)(H2,24,25,28,29)
  InChIKey: UZNNTHWEMCFBAY-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49847118
  TTD ID: D07NKC

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] Aroyl thiourea derivatives. US9365508.