General Information of the Compound
Compound ID
CP0433538
Compound Name
3-Amino-6-methyl-pyrazine-2-carboxylic acid pyridin-2-ylamide
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Synonyms
BDBM50161031
GTPL6447
PMID15686941C13
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Structure
Formula
C11H11N5O
Molecular Weight
229.243
Canonical SMILES
Cc1cnc(N)c(n1)C(=O)Nc1ccccn1
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InChI
InChI=1S/C11H11N5O/c1-7-6-14-10(12)9(15-7)11(17)16-8-4-2-3-5-13-8/h2-6H,1H3,(H2,12,14)(H,13,16,17)
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InChIKey
NAQODRYELYCKDS-UHFFFAOYSA-N
Physicochemical Property
logP
1.01452
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: 11206949
SID: 16289114
ChEMBL ID
CHEMBL183081
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 = 28 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID15686941C13 )
Drug Name PMID15686941C13
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator (allosteric modulator)