CHEMBL3752406
| SMILES | CC(C)(CCCCF)[C@H](O)/C=C/[C@H]1COC(=O)N1CCSc1nc(C(=O)O)cs1 |
| InChIKey | WYMHORLLZUTSGD-XPKDBEDXSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 446.1 |
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 |
| EP1 | PE2R1 | Human | Prostanoid | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 8.24 | 8.24 | 8.24 | ChEMBL |
| EP3 | PE2R3 | Human | Prostanoid | A | pEC50 | 8.33 | 8.33 | 8.33 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pEC50 | 5.91 | 5.91 | 5.91 | ChEMBL |