General Information of the Compound
Compound ID
CP0895990
Compound Name
N-[3-cyclopropyl-1-(2,2,2-trideuterioethyl)indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
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Structure
Formula
C18H18N6
Molecular Weight
321.4023053
Canonical SMILES
[2H]C([2H])([2H])Cn1nc(C2CC2)c2ccc(Nc3n[nH]c4cccnc34)cc21
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InChI
InChI=1S/C18H18N6/c1-2-24-15-10-12(7-8-13(15)16(23-24)11-5-6-11)20-18-17-14(21-22-18)4-3-9-19-17/h3-4,7-11H,2,5-6H2,1H3,(H2,20,21,22)/i1D3
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InChIKey
HTBTWHVWGPKYLC-FIBGUPNXSA-N
Physicochemical Property
logP
3.9485
Rotatable Bonds
5
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: 145984231
ChEMBL ID
CHEMBL4241223
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 = 36.2 nM
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