General Information of the Compound
Compound ID
CP0435216
Compound Name
3-(2-methylquinolin-7-yl)phenol
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Synonyms
3-(2-methylquinolin-7-yl)phenol
CHEMBL231988
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Structure
Formula
C16H13NO
Molecular Weight
235.286
Canonical SMILES
Cc1ccc2ccc(cc2n1)-c1cccc(O)c1
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InChI
InChI=1S/C16H13NO/c1-11-5-6-12-7-8-14(10-16(12)17-11)13-3-2-4-15(18)9-13/h2-10,18H,1H3
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InChIKey
ONBWGZNKVDEPCB-UHFFFAOYSA-N
Physicochemical Property
logP
3.91582
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
33.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 44432667
ChEMBL ID
CHEMBL231988
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 = 19000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(2-methylquinolin-7-yl)phenol )
Drug Name 3-(2-methylquinolin-7-yl)phenol
Target(s)
Metabotropic glutamate receptor 5 (mGluR5)
Inhibitor