General Information of the Compound
Compound ID
CP0513673
Compound Name
7-(3,5-dimethoxyphenyl)-2-methyl-1,6-naphthyridine
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Synonyms
BDBM50224926
GTPL6445
PMID17936624C36
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Structure
Formula
C17H16N2O2
Molecular Weight
280.327
Canonical SMILES
COc1cc(OC)cc(c1)-c1cc2nc(C)ccc2cn1
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InChI
InChI=1S/C17H16N2O2/c1-11-4-5-12-10-18-16(9-17(12)19-11)13-6-14(20-2)8-15(7-13)21-3/h4-10H,1-3H3
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InChIKey
AWGMVVADCJSVIO-UHFFFAOYSA-N
Physicochemical Property
logP
3.62242
Rotatable Bonds
3
Heavy Atom Count
21
Polar Areas
44.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
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: 44434752
ChEMBL ID
CHEMBL238344
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 = 345 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PMID17936624C36 )
Drug Name PMID17936624C36
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Modulator (allosteric modulator)