General Information of the Compound
Compound ID
CP0009734
Compound Name
4-amino-2-(4-morpholin-4-ylphenyl)thieno[3,2-c]pyridine-7-carboxamide
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Structure
Formula
C18H18N4O2S
Molecular Weight
354.435
Canonical SMILES
NC(=O)c1cnc(N)c2cc(sc12)-c1ccc(cc1)N1CCOCC1
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InChI
InChI=1S/C18H18N4O2S/c19-17-13-9-15(25-16(13)14(10-21-17)18(20)23)11-1-3-12(4-2-11)22-5-7-24-8-6-22/h1-4,9-10H,5-8H2,(H2,19,21)(H2,20,23)
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InChIKey
DZFFBPVWOUUHPX-UHFFFAOYSA-N
Physicochemical Property
logP
2.481
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
94.47
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
25

"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: 23585560
SID: 46391105
ChEMBL ID
CHEMBL1938642
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 = 66 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 = 39 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 = 748 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 = 19 nM
   TI
   LI
   LO
   TS
CL000752 PBMC iPSC #1 Homo sapiens (Human)  1
1
IC50 = 761 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 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 = 18 nM
   TI
   LI
   LO
   TS
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
IC50 > 25000 nM
   TI
   LI
   LO
   TS