General Information of the Compound
Compound ID
CP0466812
Compound Name
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
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Synonyms
3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
CHEMBL523196
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Structure
Formula
C23H19NO
Molecular Weight
325.411
Canonical SMILES
COc1ccc2cc(c(Cc3ccccc3)cc2c1)-c1cccnc1
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InChI
InChI=1S/C23H19NO/c1-25-22-10-9-18-15-23(19-8-5-11-24-16-19)21(13-20(18)14-22)12-17-6-3-2-4-7-17/h2-11,13-16H,12H2,1H3
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InChIKey
OXCXOWFIXPOTGG-UHFFFAOYSA-N
Physicochemical Property
logP
5.5012
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
22.12
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 25129117
SID: 56453427
ChEMBL ID
CHEMBL523196
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 = 640 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 = 53 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine )
Drug Name 3-(3-Benzyl-6-methoxynaphthalen-2-yl)pyridine
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor