CHEMBL3398233
SMILES | COc1ccc(-c2c(-c3ccccc3)cnn(CC3CCc4c(cccc4OCC(=O)O)C3)c2=O)cc1 |
InChIKey | YEDMDQBBXZXOOE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 496.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
IP | PI2R | Rat | Prostanoid | A | pEC50 | 7.96 | 7.96 | 7.96 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pEC50 | 8.4 | 8.4 | 8.4 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pIC50 | 6.48 | 6.48 | 6.48 | ChEMBL |