Details of the Drug

General Information of Drug (ID: DM21QCE)

• Drug Name: PMID29473428-Compound-16
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 183.59
  Logarithm of the Partition Coefficient (xlogp); 1.9
  Rotatable Bond Count (rotbonds); 0
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C7H6ClN3O
  IUPAC Name: 6-chloro-4-methyl-[1,2]oxazolo[5,4-b]pyridin-3-amine
  Canonical SMILES: CC1=CC(=NC2=C1C(=NO2)N)Cl
  InChI: InChI=1S/C7H6ClN3O/c1-3-2-4(8)10-7-5(3)6(9)11-12-7/h2H,1H3,(H2,9,11)
  InChIKey: FQUKGVSRJVUOPA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 118867679
  TTD ID: D07NFQ

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.