CHEMBL3978590
SMILES | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(C(F)(F)F)c2)cc1 |
InChIKey | UZKOHPYLAOHDTN-FSKZSRKQSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 446.2 |
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 | 5.5 | 5.69 | 5.88 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.05 | 8.03 | 9.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 5.99 | 6.72 | 7.46 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 7.8 | 8.75 | 9.7 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pEC50 | 6.66 | 6.66 | 6.66 | ChEMBL |