Details of the Drug

General Information of Drug (ID: DM4TOGU)

• Drug Name: Benzanilide compound 1
• Synonyms: PMID26882240-Compound-21A
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 515.6
  Logarithm of the Partition Coefficient (xlogp); 4.7
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C32H29N5O2
  IUPAC Name: 4-[[4-(2-aminopyridine-3-carbonyl)piperazin-1-yl]methyl]-N-[4-(2-phenylethynyl)phenyl]benzamide
  Canonical SMILES: C1CN(CCN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C#CC4=CC=CC=C4)C(=O)C5=C(N=CC=C5)N
  InChI: InChI=1S/C32H29N5O2/c33-30-29(7-4-18-34-30)32(39)37-21-19-36(20-22-37)23-26-10-14-27(15-11-26)31(38)35-28-16-12-25(13-17-28)9-8-24-5-2-1-3-6-24/h1-7,10-18H,19-23H2,(H2,33,34)(H,35,38)
  InChIKey: YPMOWWPVPPPBET-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 101913833
  TTD ID: D0AY8W

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hypoxia-inducible factor 1 (HIF-1)	TTUX68I	NOUNIPROTAC	Inhibitor	[1]

References

• [1] Hypoxia-inducible factor (HIF) inhibitors: a patent survey (2011-2015).Expert Opin Ther Pat. 2016;26(3):309-22.