General Information of the Compound
Compound ID
CP0424724
Compound Name
3-(1-Methyl-3,4-dihydronaphthalen-2-yl)-pyridine
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Synonyms
2-yl)-pyridine
3-(1-Methyl-3,4-dihydro-naphthalen-
3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine
3-(1-methyl-3,4-dihydronaphthalen-2-yl)pyridine
3614-50-4
AC-20696
AC1O70HB
ACM3614504
AKOS015965701
BDBM8892
CHEMBL206283
CTK4H5985
DTXSID90424897
Dihydronaphthalene 6
KB-232450
SCHEMBL4514804
ZINC13684515
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Structure
Formula
C16H15N
Molecular Weight
221.303
Canonical SMILES
CC1=C(CCc2ccccc12)c1cccnc1
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InChI
InChI=1S/C16H15N/c1-12-15-7-3-2-5-13(15)8-9-16(12)14-6-4-10-17-11-14/h2-7,10-11H,8-9H2,1H3
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InChIKey
WBEMJRFRGOAAJI-UHFFFAOYSA-N
Physicochemical Property
logP
3.9585
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
12.89
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
17

"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: 6540050
SID: 16659776
ChEMBL ID
CHEMBL206283
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
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1268 nM
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000191 V79 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine )
Drug Name 3-(1-methyl-3,4-dihydronaphthalen-2-yl)-pyridine
Target(s)
Aromatase (CYP19A1)
Inhibitor
Steroid 17-alpha-monooxygenase (S17AH)
Inhibitor
Steroid 11-beta-hydroxylase (CYP11B1)
Inhibitor