2-PHENYL-5-(2-(4-PHENYLPIPERAZIN-1-YL)ETHYL)-1H-BENZO[D]IMIDAZOLE

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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 LCOXKZYCBKEFQL-UHFFFAOYSA-N
Smiles C(Cc1ccc2[nH]c(nc2c1)c3ccccc3)N4CCN(CC4)c5ccccc5
InChI
InChI=1S/C25H26N4/c1-3-7-21(8-4-1)25-26-23-12-11-20(19-24(23)27-25)13-14-28-15-17-29(18-16-28)22-9-5-2-6-10-22/h1-12,19H,13-18H2,(H,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H26N4
Molecular Weight 382.5
AlogP 5.29
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 35.16
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 29.0

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
- - - 31.62 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 173.78-758.58 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 31.62-758.58 -

Cross References

Resources Reference
ChEMBL CHEMBL185436
PubChem 10762475
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