General Information of the Compound
Compound ID
CP0435101
Compound Name
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
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Synonyms
3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
CHEMBL500393
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Structure
Formula
C22H17NO
Molecular Weight
311.384
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cncc(c1)-c1ccccc1
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InChI
InChI=1S/C22H17NO/c1-24-22-10-9-17-11-18(7-8-19(17)13-22)21-12-20(14-23-15-21)16-5-3-2-4-6-16/h2-15H,1H3
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InChIKey
SQTORKYTOSOTPB-UHFFFAOYSA-N
Physicochemical Property
logP
5.5774
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
22.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 25034426
SID: 56385236
ChEMBL ID
CHEMBL500393
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: PT03119, Cytochrome P450 11B1, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 151 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ Cricetulus griseus (Chinese hamster)  1
1
IC50 = 4.8 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine )
Drug Name 3-(6-Methoxynaphthalen-2-yl)-5-phenylpyridine
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor