General Information of the Compound
Compound ID
CP0453859
Compound Name
N-(6-methylpyridin-2-yl)-3-phenylbenzamide
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Synonyms
BDBM50186331
CHEMBL377935
N-(6-methylpyridin-2-yl)biphenyl-3-carboxamide
biphenyl-3-carboxylic acid (6-methyl-pyridin-2-yl)-amide
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Structure
Formula
C19H16N2O
Molecular Weight
288.35
Canonical SMILES
Cc1cccc(NC(=O)c2cccc(c2)-c2ccccc2)n1
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InChI
InChI=1S/C19H16N2O/c1-14-7-5-12-18(20-14)21-19(22)17-11-6-10-16(13-17)15-8-3-2-4-9-15/h2-13H,1H3,(H,20,21,22)
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InChIKey
WRRMPYACQDSPSL-UHFFFAOYSA-N
Physicochemical Property
logP
4.30932
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
41.99
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 44412879
ChEMBL ID
CHEMBL377935
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18300 nM
   TI
   LI
   LO
   TS
Protein ID: PT01247, Metabotropic glutamate receptor 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 7300 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( N-(6-methylpyridin-2-yl)biphenyl-3-carboxamide )
Drug Name N-(6-methylpyridin-2-yl)biphenyl-3-carboxamide
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor