Details of the Drug

General Information of Drug (ID: DMJWTH9)

Drug Name

N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide

Synonyms

CHEMBL228865; N-(1-(1-phenylethyl)piperidin-4-yl)-1-naphthamide

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)

358.5

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C24H26N2O
IUPAC Name: N-[1-(1-phenylethyl)piperidin-4-yl]naphthalene-1-carboxamide
Canonical SMILES: CC(C1=CC=CC=C1)N2CCC(CC2)NC(=O)C3=CC=CC4=CC=CC=C43
InChI: InChI=1S/C24H26N2O/c1-18(19-8-3-2-4-9-19)26-16-14-21(15-17-26)25-24(27)23-13-7-11-20-10-5-6-12-22(20)23/h2-13,18,21H,14-17H2,1H3,(H,25,27)
InChIKey: ZNKBVXRAPNKVHW-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21

Molecular Expression Atlas (MEA)

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References

1	Synthesis and in vitro binding studies of substituted piperidine naphthamides. Part I: Influence of the substitution on the basic nitrogen and the ... Bioorg Med Chem Lett. 2007 Mar 15;17(6):1565-9.