General Information of the Compound
Compound ID
CP0392981
Compound Name
4-amino-N-methyl-2-(4-methylphenyl)thieno[3,2-c]pyridine-7-carboxamide
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Structure
Formula
C16H15N3OS
Molecular Weight
297.383
Canonical SMILES
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccc(C)cc1
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InChI
InChI=1S/C16H15N3OS/c1-9-3-5-10(6-4-9)13-7-11-14(21-13)12(16(20)18-2)8-19-15(11)17/h3-8H,1-2H3,(H2,17,19)(H,18,20)
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InChIKey
YGCHDCFSEVMWGM-UHFFFAOYSA-N
Physicochemical Property
logP
3.21352
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
21

"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: 56925455
SID: 135607659
ChEMBL ID
CHEMBL1938650
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: PT01540, Non-receptor tyrosine-protein kinase TYK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 888 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01659, Tyrosine-protein kinase JAK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 377 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 12600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00892, Tyrosine-protein kinase JAK3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 545 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS