General Information of the Compound
Compound ID
CP0389121
Compound Name
N-(3-chloro-1-ethylindazol-5-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C15H13ClN6
Molecular Weight
312.764
Canonical SMILES
CCn1nc(Cl)c2cc(Nc3n[nH]c4cccnc34)ccc12
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InChI
InChI=1S/C15H13ClN6/c1-2-22-12-6-5-9(8-10(12)14(16)21-22)18-15-13-11(19-20-15)4-3-7-17-13/h3-8H,2H2,1H3,(H2,18,19,20)
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InChIKey
DBVSZCQITXKFJF-UHFFFAOYSA-N
Physicochemical Property
logP
3.7245
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
71.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
22

"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: 134198103
ChEMBL ID
CHEMBL4239644
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 = 815 nM
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