CYCLOPROPYL(4-(3-(PIPERIDIN-1-YL)PROPOXY)PHENYL)METHANONE

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Molecule Category Free-form
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 GEURKKDLGWDNKE-UHFFFAOYSA-N
Smiles O=C(C1CC1)c2ccc(OCCCN3CCCCC3)cc2
InChI
InChI=1S/C18H25NO2/c20-18(15-5-6-15)16-7-9-17(10-8-16)21-14-4-13-19-11-2-1-3-12-19/h7-10,15H,1-6,11-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H25NO2
Molecular Weight 287.4
AlogP 3.43
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 29.54
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

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 Histamine receptor
- - - 4 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - 4 -

Cross References

Resources Reference
ChEMBL CHEMBL2297871
PubChem 9838864
SureChEMBL SCHEMBL492129
CONTENTS