[2-(5-METHOXY-2-PHENYL-1H-INDOL-3-YL)-ETHYL]-DIMETHYL-AMINE

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Molecule Category Free-form
UNII 6G5F6ESV5I
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 VSGPGYWZVPDDSK-UHFFFAOYSA-N
Smiles COc1ccc2[nH]c(c(CCN(C)C)c2c1)c3ccccc3
InChI
InChI=1S/C19H22N2O/c1-21(2)12-11-16-17-13-15(22-3)9-10-18(17)20-19(16)14-7-5-4-6-8-14/h4-10,13,20H,11-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H22N2O
Molecular Weight 294.39
AlogP 4.31
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 28.26
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 22.0

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 Serotonin receptor
- - - 20 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 20 -

Cross References

Resources Reference
ChEMBL CHEMBL7318
FDA SRS 6G5F6ESV5I
PubChem 6918515
SureChEMBL SCHEMBL5763578
CONTENTS