Details of the Drug

General Information of Drug (ID: DMMPAWD)

Drug Name

5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol

Synonyms

CHEMBL500636; 5-(6-Methoxynaphthalen-2-yl)pyridin-3-ol; ZINC40425010

Indication

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

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

251.28

Logarithm of the Partition Coefficient (xlogp)

3.3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H13NO2
IUPAC Name: 5-(6-methoxynaphthalen-2-yl)pyridin-3-ol
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=CC(=CN=C3)O
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
InChIKey: YXTBYYAJCILARD-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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

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Molecular Interaction Atlas (MIA)

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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)

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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.