Details of the Drug

General Information of Drug (ID: DMLUPV1)

• Drug Name: Thieno[2,3-c]pyridine derivative 1
• Synonyms: PMID29473428-Compound-68
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 277.68
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C13H9ClFN3O
  IUPAC Name: 3-N-(3-chloro-4-fluorophenyl)furo[2,3-c]pyridine-2,3-diamine
  Canonical SMILES: C1=CC(=C(C=C1NC2=C(OC3=C2C=CN=C3)N)Cl)F
  InChI: InChI=1S/C13H9ClFN3O/c14-9-5-7(1-2-10(9)15)18-12-8-3-4-17-6-11(8)19-13(12)16/h1-6,18H,16H2
  InChIKey: MAFDXEXXQIAQTR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 86581712
  TTD ID: D0IT3V

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.