General Information of the Compound
Compound ID
CP0392977
Compound Name
4-amino-N-methyl-2-phenylthieno[3,2-c]pyridine-7-carboxamide
    Show/Hide
Structure
Formula
C15H13N3OS
Molecular Weight
283.356
Canonical SMILES
CNC(=O)c1cnc(N)c2cc(sc12)-c1ccccc1
    Show/Hide
InChI
InChI=1S/C15H13N3OS/c1-17-15(19)11-8-18-14(16)10-7-12(20-13(10)11)9-5-3-2-4-6-9/h2-8H,1H3,(H2,16,18)(H,17,19)
    Show/Hide
InChIKey
VKVXEWNGPFYOGR-UHFFFAOYSA-N
Physicochemical Property
logP
2.9051
Rotatable Bonds
2
Heavy Atom Count
20
Polar Areas
68.01
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
20

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 10107882
SID: 15096372
ChEMBL ID
CHEMBL1938649
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 = 937 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 = 290 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 = 58 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 = 767 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS