General Information of the Compound
Compound ID
CP0457567
Compound Name
6-methyl-1,5-di(pyrazin-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
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Structure
Formula
C14H10N8O
Molecular Weight
306.289
Canonical SMILES
Cc1nc2n(ncc2c(=O)n1-c1cnccn1)-c1cnccn1
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InChI
InChI=1S/C14H10N8O/c1-9-20-13-10(6-19-22(13)12-8-16-3-5-18-12)14(23)21(9)11-7-15-2-4-17-11/h2-8H,1H3
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InChIKey
KFMCQFQGOJPKHE-UHFFFAOYSA-N
Physicochemical Property
logP
0.45982
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
104.27
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
9
Complexity
23

"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: 44442436
ChEMBL ID
CHEMBL399460
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
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000094 1321N1 Homo sapiens (Human)  1
1
IC50 > 100000 nM
   TI
   LI
   LO
   TS