CHEMBL3976710
SMILES | O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc(F)c(F)c2)cc1 |
InChIKey | PGDLVWMBYBRVFO-QVVBJLIYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 414.2 |
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 | 5.03 | 5.43 | 5.82 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pKi | 6.53 | 7.53 | 8.52 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 7.52 | 7.52 | 7.52 | ChEMBL |
EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 7.68 | 8.6 | 9.52 | ChEMBL |
TP | TA2R | Human | Prostanoid | A | pEC50 | 5.61 | 5.61 | 5.61 | ChEMBL |