General Information of the Compound
Compound ID
CP0395829
Compound Name
[1-methyl-6-(pyridin-2-ylmethoxy)pyrazolo[3,4-b]pyridin-3-yl]-morpholin-4-ylmethanone
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Structure
Formula
C18H19N5O3
Molecular Weight
353.382
Canonical SMILES
Cn1nc(C(=O)N2CCOCC2)c2ccc(OCc3ccccn3)nc12
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InChI
InChI=1S/C18H19N5O3/c1-22-17-14(16(21-22)18(24)23-8-10-25-11-9-23)5-6-15(20-17)26-12-13-4-2-3-7-19-13/h2-7H,8-12H2,1H3
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InChIKey
YAOOWQWIHCHMIS-UHFFFAOYSA-N
Physicochemical Property
logP
1.4147
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
82.37
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
26

"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: 76332629
ChEMBL ID
CHEMBL3122226
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: PT01994, Metabotropic glutamate receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 50000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 88 nM
   TI
   LI
   LO
   TS
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000524 HEK293-FT Homo sapiens (Human)  1
1
Ki = 114 nM
   TI
   LI
   LO
   TS