N-(4-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)BUTYL)-2-NAPHTHAMIDE HYDROCHLORIDE

/static/temp/default.svg Search structure
Molecule Category Salt-form
UNII 20PLE5W821
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key KFWJGUZIZAPFMX-UHFFFAOYSA-N
Smiles Cl.COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2
InChI
InChI=1S/C26H31N3O2.ClH/c1-31-25-11-5-4-10-24(25)29-18-16-28(17-19-29)15-7-6-14-27-26(30)23-13-12-21-8-2-3-9-22(21)20-23;/h2-5,8-13,20H,6-7,14-19H2,1H3,(H,27,30);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H32ClN3O2
Molecular Weight 454.0
AlogP 4.34
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- 0.41-28.3 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- 0.41-28.3 - - -

Cross References

Resources Reference
ChEMBL CHEMBL540612
FDA SRS 20PLE5W821
PubChem 60210077
CONTENTS