Details of the Drug

General Information of Drug (ID: DMN75RD)

Drug Name

3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine

Synonyms

CHEMBL453169; 3-(6-Methoxynaphthalen-2-yl)pyridin-4-amine; ZINC40835651; BDBM50272248

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)

250.29

Logarithm of the Partition Coefficient (xlogp)

3

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H14N2O
IUPAC Name: 3-(6-methoxynaphthalen-2-yl)pyridin-4-amine
Canonical SMILES: COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C=CN=C3)N
InChI: InChI=1S/C16H14N2O/c1-19-14-5-4-11-8-13(3-2-12(11)9-14)15-10-18-7-6-16(15)17/h2-10H,1H3,(H2,17,18)
InChIKey: WAIWXNYKRBBVSH-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Debrisoquine 4-hydroxylase (CYP2D6)	TTVG215	CP2D6_HUMAN	Inhibitor	[1]
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.