General Information of the Compound
Compound ID
CP0464655
Compound Name
3-Amino-6-chloro-5-isopropylamino-pyrazine-2-carboxylic acid pyridin-2-ylamide
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Structure
Formula
C13H15ClN6O
Molecular Weight
306.757
Canonical SMILES
CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
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InChI
InChI=1S/C13H15ClN6O/c1-7(2)17-12-10(14)19-9(11(15)20-12)13(21)18-8-5-3-4-6-16-8/h3-7H,1-2H3,(H3,15,17,20)(H,16,18,21)
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InChIKey
INBCSHHGWOUOTC-UHFFFAOYSA-N
Physicochemical Property
logP
2.1798
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
105.82
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
21

"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: 44389225
ChEMBL ID
CHEMBL181169
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 = 23 nM
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