General Information of the Compound
Compound ID
CP0487144
Compound Name
N-[1-methyl-3-(trifluoromethyl)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C15H11F3N6
Molecular Weight
332.289
Canonical SMILES
Cn1nc(c2ccc(Nc3n[nH]c4cccnc34)cc12)C(F)(F)F
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InChI
InChI=1S/C15H11F3N6/c1-24-11-7-8(4-5-9(11)13(23-24)15(16,17)18)20-14-12-10(21-22-14)3-2-6-19-12/h2-7H,1H3,(H2,20,21,22)
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InChIKey
APKCIUSODJJQDP-UHFFFAOYSA-N
Physicochemical Property
logP
3.607
Rotatable Bonds
2
Heavy Atom Count
24
Polar Areas
71.42
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
24

"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: 145983574
ChEMBL ID
CHEMBL4246041
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 = 119 nM
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