General Information of the Compound
Compound ID
CP0522484
Compound Name
6-Chloro-5-dimethylamino-pyrazine-2-carboxylic acid pyridin-2-ylamide
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Structure
Formula
C12H12ClN5O
Molecular Weight
277.715
Canonical SMILES
CN(C)c1ncc(nc1Cl)C(=O)Nc1ccccn1
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InChI
InChI=1S/C12H12ClN5O/c1-18(2)11-10(13)16-8(7-15-11)12(19)17-9-5-3-4-6-14-9/h3-7H,1-2H3,(H,14,17,19)
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InChIKey
WHWIRWYESVKFAU-UHFFFAOYSA-N
Physicochemical Property
logP
1.8433
Rotatable Bonds
3
Heavy Atom Count
19
Polar Areas
71.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
19

"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: 11265888
SID: 16351869
ChEMBL ID
CHEMBL367145
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: PT00854, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
IC50 = 158 nM
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