General Information of the Compound
Compound ID
CP0457627
Compound Name
3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
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Synonyms
3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
BDBM50272250
CHEMBL447591
SCHEMBL3004402
SEXSHORPOJSDHK-UHFFFAOYSA-N
ZINC40979781
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Structure
Formula
C17H15NO2
Molecular Weight
265.312
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cncc(OC)c1
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InChI
InChI=1S/C17H15NO2/c1-19-16-6-5-12-7-13(3-4-14(12)8-16)15-9-17(20-2)11-18-10-15/h3-11H,1-2H3
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InChIKey
SEXSHORPOJSDHK-UHFFFAOYSA-N
Physicochemical Property
logP
3.919
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
31.35
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
20

"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: 24827305
SID: 49848720
ChEMBL ID
CHEMBL447591
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 = 238 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 = 4.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine )
Drug Name 3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor
Albendazole monooxygenase (CYP3A4)
Inhibitor