Details of the Drug

General Information of Drug (ID: DMGYLC1)

Drug Name

N-(1-(3-bromobenzyl)piperidin-4-yl)-1-naphthamide

Synonyms

CHEMBL395631; N-(1-(3-bromobenzyl)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): 1

Molecular Weight (mw)

423.3

Logarithm of the Partition Coefficient (xlogp)

5.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C23H23BrN2O
IUPAC Name: N-[1-[(3-bromophenyl)methyl]piperidin-4-yl]naphthalene-1-carboxamide
Canonical SMILES: C1CN(CCC1NC(=O)C2=CC=CC3=CC=CC=C32)CC4=CC(=CC=C4)Br
InChI: InChI=1S/C23H23BrN2O/c24-19-8-3-5-17(15-19)16-26-13-11-20(12-14-26)25-23(27)22-10-4-7-18-6-1-2-9-21(18)22/h1-10,15,20H,11-14,16H2,(H,25,27)
InChIKey: USZMCEOIEOTIGM-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 II: Influence of the substitution on the benzyl moiety on the a... Bioorg Med Chem Lett. 2007 Mar 15;17(6):1570-4.