RAC-1-{3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]PROPYL}-2',3'-DIHYDROSPIRO[IMIDAZOLIDINE-4,1'-INDENE]-2,5-DIONE

/static/temp/default.svg Search structure
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 IARDVIOHDKSEPI-UHFFFAOYSA-N
Smiles Clc1cccc(c1)N2CCN(CCCN3C(=O)NC4(CCc5ccccc45)C3=O)CC2
InChI
InChI=1S/C24H27ClN4O2/c25-19-6-3-7-20(17-19)28-15-13-27(14-16-28)11-4-12-29-22(30)24(26-23(29)31)10-9-18-5-1-2-8-21(18)24/h1-3,5-8,17H,4,9-16H2,(H,26,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H27ClN4O2
Molecular Weight 438.95
AlogP 3.75
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 55.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 851.14 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
- - - 851.14 -

Cross References

Resources Reference
ChEMBL CHEMBL1098609
PubChem 46192015
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