General Information of the Compound
Compound ID
CP0504537
Compound Name
4-chloro-1-ethyl-N-propylpyrazolo[3,4-b]pyridine-5-carboxamide
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Structure
Formula
C12H15ClN4O
Molecular Weight
266.732
Canonical SMILES
CCCNC(=O)c1cnc2n(CC)ncc2c1Cl
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InChI
InChI=1S/C12H15ClN4O/c1-3-5-14-12(18)9-6-15-11-8(10(9)13)7-16-17(11)4-2/h6-7H,3-5H2,1-2H3,(H,14,18)
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InChIKey
AXBBBRKCHUDQTL-UHFFFAOYSA-N
Physicochemical Property
logP
2.2444
Rotatable Bonds
4
Heavy Atom Count
18
Polar Areas
59.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
18

"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: 46883931
ChEMBL ID
CHEMBL1094031
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 > 6309.57 nM
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