General Information of the Compound
Compound ID
CP0566557
Compound Name
2-[7-[[2-(2-fluoro-5-methylphenyl)-5-methylpyridin-4-yl]amino]pyrazolo[4,3-b]pyridin-2-yl]ethanol
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Structure
Formula
C21H20FN5O
Molecular Weight
377.423
Canonical SMILES
Cc1ccc(F)c(c1)-c1cc(Nc2ccnc3cn(CCO)nc23)c(C)cn1
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InChI
InChI=1S/C21H20FN5O/c1-13-3-4-16(22)15(9-13)19-10-18(14(2)11-24-19)25-17-5-6-23-20-12-27(7-8-28)26-21(17)20/h3-6,9-12,28H,7-8H2,1-2H3,(H,24,25)
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InChIKey
UVKZRDUGQUUWLS-UHFFFAOYSA-N
Physicochemical Property
logP
3.98514
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
75.86
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
28

"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: 137640574
ChEMBL ID
CHEMBL4074026
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: PT01221, TGF-beta receptor type-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000907 CellSensor SBE-bla HEK 293T Homo sapiens (Human)  1
1
EC50 = 251.19 nM
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