General Information of the Compound
Compound ID
CP0500840
Compound Name
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
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Synonyms
5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
CHEMBL500636
ZINC40425010
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Structure
Formula
C16H13NO2
Molecular Weight
251.285
Canonical SMILES
COc1ccc2cc(ccc2c1)-c1cncc(O)c1
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InChI
InChI=1S/C16H13NO2/c1-19-16-5-4-11-6-12(2-3-13(11)8-16)14-7-15(18)10-17-9-14/h2-10,18H,1H3
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InChIKey
YXTBYYAJCILARD-UHFFFAOYSA-N
Physicochemical Property
logP
3.616
Rotatable Bonds
2
Heavy Atom Count
19
Polar Areas
42.35
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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: 25034344
SID: 56385151
ChEMBL ID
CHEMBL500636
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 = 8925 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 = 94 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol )
Drug Name 5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor