palupiprant
| SMILES | C[C@@H](C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F |
| InChIKey | MKLKAQMPKHNQPR-NSHDSACASA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 483.1 |
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 |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.2 | 8.2 | 8.2 | Guide to Pharmacology |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP4 | PE2R4 | Mouse | Prostanoid | A | pIC50 | 6.74 | 6.87 | 7.0 | ChEMBL |
| EP2 | PE2R2 | Human | Prostanoid | A | pIC50 | 6.03 | 6.03 | 6.03 | ChEMBL |
| EP4 | PE2R4 | Human | Prostanoid | A | pIC50 | 7.6 | 7.95 | 8.35 | ChEMBL |