9-(3-(4-(2-METHOXYPHENYL)PIPERAZIN-1-YL)PROPYL)-1,3-DIMETHYL-6,7,8,9-TETRAHYDROPYRIMIDO[1,2-F]PURINE-2,4(1H,3H)-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 OZAXJINUJRJQJM-UHFFFAOYSA-N
Smiles COc1ccccc1N2CCN(CCCN3CCCn4c3nc5N(C)C(=O)N(C)C(=O)c45)CC2
InChI
InChI=1S/C24H33N7O3/c1-26-21-20(22(32)27(2)24(26)33)31-13-7-12-30(23(31)25-21)11-6-10-28-14-16-29(17-15-28)18-8-4-5-9-19(18)34-3/h4-5,8-9H,6-7,10-17H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33N7O3
Molecular Weight 467.56
AlogP 2.3
Hydrogen Bond Acceptor 7.0
Number of Rotational Bond 6.0
Polar Surface Area 77.39
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 34.0

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
- - - 2.8-486.41 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 2.8-486.41 -

Cross References

Resources Reference
ChEMBL CHEMBL328292
PubChem 9982036
CONTENTS