CHEMBL3906016
SMILES | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Br)c2)cc1 |
InChIKey | JQSUCRMHKFCGBV-FSKZSRKQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 456.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pKi | 5.84 | 5.93 | 6.02 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.98 | 8.33 | 9.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 6.56 | 7.41 | 8.1 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 6.75 | 6.75 | 6.75 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 7.92 | 9.31 | 10.3 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pEC50 | 6.97 | 6.98 | 7.0 | ChEMBL |