Details of the Drug

General Information of Drug (ID: DMJ2CIY)

• Drug Name: Benzimidazole and imadazopyridine carboximidamide compound 2
• Synonyms: PMID29473428-Compound-24
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 332.16
  Logarithm of the Partition Coefficient (xlogp); 2.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H10BrN5O
  IUPAC Name: N'-(3-bromophenyl)-N-hydroxy-1H-imidazo[4,5-b]pyridine-7-carboximidamide
  Canonical SMILES: C1=CC(=CC(=C1)Br)N=C(C2=C3C(=NC=C2)N=CN3)NO
  InChI: InChI=1S/C13H10BrN5O/c14-8-2-1-3-9(6-8)18-12(19-20)10-4-5-15-13-11(10)16-7-17-13/h1-7,20H,(H,18,19)(H,15,16,17)
  InChIKey: UPPKJOIPXZWQCK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 137097618
  TTD ID: D0B5FA

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	Inhibitor	[1]

References

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