Details of the Drug

General Information of Drug (ID: DM7TASJ)

• Drug Name: BDBM50363773
• Synonyms: CHEMBL1945137; CHEMBL1962885; BDBM50363773
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 440.6
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C24H32N4O2S
  IUPAC Name: N-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]-4-propan-2-ylbenzamide
  Canonical SMILES: CC(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C
  InChI: InChI=1S/C24H32N4O2S/c1-17(2)18-8-10-19(11-9-18)23(30)27-24(31)26-21-14-12-20(13-15-21)25-22(29)7-5-6-16-28(3)4/h8-15,17H,5-7,16H2,1-4H3,(H,25,29)(H2,26,27,30,31)
  InChIKey: UTQHGPPEEJLEOE-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 49847196
  TTD ID: D0V2UZ

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.