General Information of the Compound
Compound ID
CP0356130
Compound Name
4-cyclohexyl-5-(2-hydroxyethyl)-3-methyl-2,7-dihydropyrazolo[3,4-b]pyridin-6-one
    Show/Hide
Structure
Formula
C15H21N3O2
Molecular Weight
275.352
Canonical SMILES
Cc1[nH]nc2[nH]c(=O)c(CCO)c(C3CCCCC3)c12
    Show/Hide
InChI
InChI=1S/C15H21N3O2/c1-9-12-13(10-5-3-2-4-6-10)11(7-8-19)15(20)16-14(12)18-17-9/h10,19H,2-8H2,1H3,(H2,16,17,18,20)
    Show/Hide
InChIKey
WFHRZLNMHBOJNS-UHFFFAOYSA-N
Physicochemical Property
logP
2.14212
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
81.77
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
3
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: 156017223
ChEMBL ID
CHEMBL4642546
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: PT01659, Tyrosine-protein kinase JAK1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000743 CellSensor STAT6-bla RA-1 Homo sapiens (Human)  1
1
IC50 = 8500 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 490 nM
Protein ID: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000128 TF-1 Homo sapiens (Human)  1
1
IC50 > 40000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 3900 nM