General Information of the Compound
Compound ID
CP0392869
Compound Name
N-ethyl-1-methyl-6-[(6-methylpyridin-2-yl)methoxy]pyrazolo[3,4-b]pyridine-3-carboxamide
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Structure
Formula
C17H19N5O2
Molecular Weight
325.372
Canonical SMILES
CCNC(=O)c1nn(C)c2nc(OCc3cccc(C)n3)ccc12
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InChI
InChI=1S/C17H19N5O2/c1-4-18-17(23)15-13-8-9-14(20-16(13)22(3)21-15)24-10-12-7-5-6-11(2)19-12/h5-9H,4,10H2,1-3H3,(H,18,23)
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InChIKey
BRJGPYREHPMBAR-UHFFFAOYSA-N
Physicochemical Property
logP
2.00042
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
81.93
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
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: 76321785
ChEMBL ID
CHEMBL3122222
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 = 59.6 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 = 54.6 nM
   TI
   LI
   LO
   TS