taprenepag
| SMILES | OC(=O)COc1cccc(c1)CN(S(=O)(=O)c1cccnc1)Cc1ccc(cc1)n1cccn1 |
| InChIKey | MFFBXYNKZHTCEY-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 7 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 478.1 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 7CX3 |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pKi | 8.0 | 8.0 | 8.0 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP2 | PE2R2 | Human | Prostanoid | A | pEC50 | 8.55 | 8.55 | 8.55 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| EP2 | PE2R2 | Rat | Prostanoid | A | pIC50 | 8.3 | 8.3 | 8.3 | Guide to Pharmacology |