5-(2-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)ETHYL)-1H-BENZO[D][1,2,3]TRIAZOLE

/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 QOTYCLIFPPZNAZ-UHFFFAOYSA-N
Smiles COc1ccccc1N2CCN(CCc3ccc4[nH]nnc4c3)CC2
InChI
InChI=1S/C19H23N5O/c1-25-19-5-3-2-4-18(19)24-12-10-23(11-13-24)9-8-15-6-7-16-17(14-15)21-22-20-16/h2-7,14H,8-13H2,1H3,(H,20,21,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H23N5O
Molecular Weight 337.42
AlogP 3.44
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 57.28
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

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
- - - 5.37-812.83 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 44.67-141.25 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 5.37-812.83 -

Cross References

Resources Reference
ChEMBL CHEMBL183776
PubChem 10088453
CONTENTS