evatanepag
| SMILES | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)C(C)(C)C |
| InChIKey | WOHRHWDYFNWPNG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 468.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 7CX4 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.6 | 8.6 | 8.6 | Guide to Pharmacology |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 7.3 | 7.55 | 7.8 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Rat | Prostanoid | A | pIC50 | 7.3 | 7.3 | 7.3 | Guide to Pharmacology |
| EP2 | PE2R2 | Rat | Prostanoid | A | pEC50 | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| EP2 | PE2R2 | Rat | Prostanoid | A | pIC50 | 7.3 | 7.3 | 7.3 | ChEMBL |
| EP2 | PE2R2 | Rat | Prostanoid | A | pEC50 | 9.52 | 9.52 | 9.52 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 7.77 | 8.04 | 8.3 | ChEMBL |