Details of the Drug

General Information of Drug (ID: DM1MJCE)

Drug Name

1-(7-Methoxy-naphthalen-2-yl)-piperazine

Synonyms

1-(7-methoxynaphthalen-2-yl)piperazine; CHEMBL129661; 1174207-86-3; 1-(7-Methoxy-naphthalen-2-yl)-piperazine; ZINC27313663; BDBM50061300; DA-15050

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)

242.32

Logarithm of the Partition Coefficient (xlogp)

2.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C15H18N2O
IUPAC Name: 1-(7-methoxynaphthalen-2-yl)piperazine
Canonical SMILES: COC1=CC2=C(C=CC(=C2)N3CCNCC3)C=C1
InChI: InChI=1S/C15H18N2O/c1-18-15-5-3-12-2-4-14(10-13(12)11-15)17-8-6-16-7-9-17/h2-5,10-11,16H,6-9H2,1H3
InChIKey: FRTFBUOBLXTGSL-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 1A receptor (HTR1A)	TTSQIFT	5HT1A_HUMAN	Inhibitor	[1]
5-HT 1B receptor (HTR1B)	TTK8CXU	5HT1B_HUMAN	Inhibitor	[1]
5-HT 1D receptor (HTR1D)	TT6MSOK	5HT1D_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
5-HT 1A receptor (HTR1A)	DTT	HTR1A	2.18E-01	-0.11	-0.51

Molecular Expression Atlas (MEA)

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References

1	5-HT1B receptor antagonist properties of novel arylpiperazide derivatives of 1-naphthylpiperazine. J Med Chem. 1997 Nov 21;40(24):3974-8.