Details of the Drug

General Information of Drug (ID: DME3ZJO)

• Drug Name: PMID25980951-Compound-10
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 489.6
  Logarithm of the Partition Coefficient (xlogp); 2.5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C28H35N5O3
  IUPAC Name: (2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-(7-phenyl-1H-pyrrolo[2,3-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]propanamide
  Canonical SMILES: C[C@@H](C(=O)N[C@@H](C1CCOCC1)C(=O)N2CCC[C@H]2C3=CC4=C(N3)C(=NC=C4)C5=CC=CC=C5)NC
  InChI: InChI=1S/C28H35N5O3/c1-18(29-2)27(34)32-26(20-11-15-36-16-12-20)28(35)33-14-6-9-23(33)22-17-21-10-13-30-24(25(21)31-22)19-7-4-3-5-8-19/h3-5,7-8,10,13,17-18,20,23,26,29,31H,6,9,11-12,14-16H2,1-2H3,(H,32,34)/t18-,23-,26-/m0/s1
  InChIKey: IKVUPSWUHVVHKV-WMDMVVLCSA-N
• Cross-matching ID:
  PubChem CID: 46175910
  TTD ID: D0P9PZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
X-linked inhibitor of apoptosis protein (XIAP)	TTR7B60	XIAP_HUMAN	Antagonist	[1]

References

• [1] Small molecule inhibitor of apoptosis proteins antagonists: a patent review.Expert Opin Ther Pat. 2015 Jul;25(7):755-74.