Details of the Drug

General Information of Drug (ID: DMF2IW8)

Drug Name

3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine

Synonyms

CHEMBL447591; 3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine; SCHEMBL3004402; SEXSHORPOJSDHK-UHFFFAOYSA-N; BDBM50272250; ZINC40979781

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

265.31

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C17H15NO2
IUPAC Name: 3-methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=CN=C3)OC
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
InChIKey: SEXSHORPOJSDHK-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Albendazole monooxygenase (CYP3A4)	TTXV4FI	CP3A4_HUMAN	Inhibitor	[1]
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Steroid 11-beta-hydroxylase (CYP11B1)	DTT	CYP11B1	4.31E-04	-0.03	-0.13

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Overcoming undesirable CYP1A2 inhibition of pyridylnaphthalene-type aldosterone synthase inhibitors: influence of heteroaryl derivatization on pote... J Med Chem. 2008 Aug 28;51(16):5064-74.