General Information of the Compound
Compound ID
CP0513674
Compound Name
2-(3,5-difluorophenyl)-7-methyl-1,8-naphthyridine
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Synonyms
2-(3,5-difluorophenyl)-7-methyl-1,8-naphthyridine
CHEMBL235838
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Structure
Formula
C15H10F2N2
Molecular Weight
256.255
Canonical SMILES
Cc1ccc2ccc(nc2n1)-c1cc(F)cc(F)c1
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InChI
InChI=1S/C15H10F2N2/c1-9-2-3-10-4-5-14(19-15(10)18-9)11-6-12(16)8-13(17)7-11/h2-8H,1H3
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InChIKey
ODEYWYKLTXXLRT-UHFFFAOYSA-N
Physicochemical Property
logP
3.88342
Rotatable Bonds
1
Heavy Atom Count
19
Polar Areas
25.78
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
19

"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: 44434736
ChEMBL ID
CHEMBL235838
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 = 181 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-(3,5-difluorophenyl)-7-methyl-1,8-naphthyridine )
Drug Name 2-(3,5-difluorophenyl)-7-methyl-1,8-naphthyridine
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor