General Information of the Compound
Compound ID
CP0523126
Compound Name
3-Amino-6-chloro-pyrazine-2-carboxylic acid pyridin-2-ylamide
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Structure
Formula
C10H8ClN5O
Molecular Weight
249.661
Canonical SMILES
Nc1ncc(Cl)nc1C(=O)Nc1ccccn1
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InChI
InChI=1S/C10H8ClN5O/c11-6-5-14-9(12)8(15-6)10(17)16-7-3-1-2-4-13-7/h1-5H,(H2,12,14)(H,13,16,17)
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InChIKey
LFZFMMSGWDUXGJ-UHFFFAOYSA-N
Physicochemical Property
logP
1.3595
Rotatable Bonds
2
Heavy Atom Count
17
Polar Areas
93.79
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
17

"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: 11311245
SID: 16400222
ChEMBL ID
CHEMBL361556
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 = 11 nM
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