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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL4288032
TTD ID
D0IT3V
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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