Details of the Drug

General Information of Drug (ID: DMOVPWD)

• Drug Name: PMID29473428-Compound-6
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 298.8
  Logarithm of the Partition Coefficient (xlogp); 4.2
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C17H15ClN2O
  IUPAC Name: 5-chloro-N-[(1S)-1-phenylethyl]-1H-indole-2-carboxamide
  Canonical SMILES: C[C@@H](C1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl
  InChI: InChI=1S/C17H15ClN2O/c1-11(12-5-3-2-4-6-12)19-17(21)16-10-13-9-14(18)7-8-15(13)20-16/h2-11,20H,1H3,(H,19,21)/t11-/m0/s1
  InChIKey: KNBUEFQZZKXGIC-NSHDSACASA-N
• Cross-matching ID:
  PubChem CID: 7323927
  TTD ID: D03JQL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Indoleamine 2,3-dioxygenase 1 (IDO1)	TTZJYKH	I23O1_HUMAN	Not Available	[1]

References

• [1] A patent review of IDO1 inhibitors for cancer.Expert Opin Ther Pat. 2018 Apr;28(4):317-330.