General Information of the Compound
Compound ID
CP0138972
Compound Name
2-cyclopentyl-4-pyrazolo[1,5-a]pyridin-3-ylbenzoic acid
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Formula
C19H18N2O2
Molecular Weight
306.365
Canonical SMILES
OC(=O)c1ccc(cc1C1CCCC1)-c1cnn2ccccc12
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InChI
InChI=1S/C19H18N2O2/c22-19(23)15-9-8-14(11-16(15)13-5-1-2-6-13)17-12-20-21-10-4-3-7-18(17)21/h3-4,7-13H,1-2,5-6H2,(H,22,23)
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InChIKey
FXDMIDQXZVLPIP-UHFFFAOYSA-N
Physicochemical Property
logP
4.3571
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
54.6
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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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ChEMBL ID
CHEMBL4851925
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: PT01563, Calcium/calmodulin-dependent protein kinase kinase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 200 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 44 nM