CHEMBL3926078
SMILES | O=C(O)COC[C@H]1CC[C@H](COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1 |
InChIKey | JPMFAXPZTPNMRF-QAQDUYKDSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 449.1 |
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 | 6.4 | 6.4 | 6.4 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pEC50 | 8.47 | 8.52 | 8.57 | ChEMBL |
IP | PI2R | Human | Prostanoid | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |
DP1 | PD2R | Human | Prostanoid | A | pEC50 | 5.69 | 5.69 | 5.69 | ChEMBL |