Details of the Drug

General Information of Drug (ID: DM9QIH4)

Drug Name

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

Synonyms

CHEMBL565638; N-(piperidin-4-yl)-N-propyl-2-naphthamide

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
------------------------------------------------------------------------------------

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

296.4

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C19H24N2O
IUPAC Name: N-piperidin-4-yl-N-propylnaphthalene-2-carboxamide
Canonical SMILES: CCCN(C1CCNCC1)C(=O)C2=CC3=CC=CC=C3C=C2
InChI: InChI=1S/C19H24N2O/c1-2-13-21(18-9-11-20-12-10-18)19(22)17-8-7-15-5-3-4-6-16(15)14-17/h3-8,14,18,20H,2,9-13H2,1H3
InChIKey: KPOGSLKDEJXGPM-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Serotonin transporter (SERT)	TT3ROYC	SC6A4_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

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.