General Information of the Compound
Compound ID
CP0476495
Compound Name
N3-(3-Chloro- 4-fluorophenyl) furo[2,3- c]pyridine-2,3- diamine
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Synonyms
PMID29473428-Compound-68
Thieno[2,3-c]pyridine derivative 1
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Structure
Formula
C13H9ClFN3O
Molecular Weight
277.686
Canonical SMILES
Nc1oc2cnccc2c1Nc1ccc(F)c(Cl)c1
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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
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InChIKey
MAFDXEXXQIAQTR-UHFFFAOYSA-N
Physicochemical Property
logP
3.9461
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
64.08
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 86581712
ChEMBL ID
CHEMBL4288032
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02896, Tryptophan 2,3-dioxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 500 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Thieno[2,3-c]pyridine derivative 1 )
Drug Name Thieno[2,3-c]pyridine derivative 1
Company CURADEV PHARMA PRIVATE LTD
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
Inhibitor