General Information of the Compound
Compound ID
CP0230562
Compound Name
N-(1,3-dimethylindazol-6-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C15H14N6
Molecular Weight
278.319
Canonical SMILES
Cc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
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InChI
InChI=1S/C15H14N6/c1-9-11-6-5-10(8-13(11)21(2)20-9)17-15-14-12(18-19-15)4-3-7-16-14/h3-8H,1-2H3,(H2,17,18,19)
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InChIKey
XBUOPRIADANPSX-UHFFFAOYSA-N
Physicochemical Property
logP
2.89662
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
71.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
21

"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: 134191954
ChEMBL ID
CHEMBL4250214
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: PT02199, Metabotropic glutamate receptor 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 78.1 nM
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