CHEMBL3950189
SMILES | CC1(C)C(=O)[C@H](CC#CCCCC(=O)O)[C@@H](/C=C\C(O)CCc2sc3ccccc3c2Cl)[C@@H]1O |
InChIKey | VICZEZKKTCERBB-FZDLZLEKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 9 |
Molecular weight (Da) | 502.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
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 |
EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 7.18 | 7.34 | 7.5 | ChEMBL |
EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 6.7 | 6.85 | 7.0 | ChEMBL |