Details of the Drug

General Information of Drug (ID: DM1GTVW)

Drug Name

N-cyclobutyl-N-(piperidin-4-yl)-2-naphthamide

Synonyms

CHEMBL578346; N-cyclobutyl-N-(piperidin-4-yl)-2-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)

308.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C20H24N2O
IUPAC Name: N-cyclobutyl-N-piperidin-4-ylnaphthalene-2-carboxamide
Canonical SMILES: C1CC(C1)N(C2CCNCC2)C(=O)C3=CC4=CC=CC=C4C=C3
InChI: InChI=1S/C20H24N2O/c23-20(17-9-8-15-4-1-2-5-16(15)14-17)22(18-6-3-7-18)19-10-12-21-13-11-19/h1-2,4-5,8-9,14,18-19,21H,3,6-7,10-13H2
InChIKey: AZTPZTRJVCAAMX-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
Serotonin transporter (SERT)	DTT	SLC6A4	8.76E-01	7.18E-05	6.19E-04

Molecular Expression Atlas (MEA)

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References

1	Bioorg Med Chem Lett. 2009 Oct 15;19(20):5893-7. Epub 2009 Aug 21.Design and optimisation of selective serotonin re-uptake inhibitors with high synthetic accessibility: part 2.