General Information of the Compound
Compound ID
CP0496935
Compound Name
2-m-tolyl-1,8-naphthyridine
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Synonyms
2-m-tolyl-1,8-naphthyridine
CHEMBL395902
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Structure
Formula
C15H12N2
Molecular Weight
220.275
Canonical SMILES
Cc1cccc(c1)-c1ccc2cccnc2n1
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InChI
InChI=1S/C15H12N2/c1-11-4-2-5-13(10-11)14-8-7-12-6-3-9-16-15(12)17-14/h2-10H,1H3
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InChIKey
VOPUZVINSLDWHQ-UHFFFAOYSA-N
Physicochemical Property
logP
3.60522
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
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: 44434718
ChEMBL ID
CHEMBL395902
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: PT01247, 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 = 225 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-m-tolyl-1,8-naphthyridine )
Drug Name 2-m-tolyl-1,8-naphthyridine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor