L-161,982 (EP4A)
| SMILES | CCCCc1nn(c(=O)n1Cc1ccc(cc1)c1ccccc1S(=O)(=O)NC(=O)c1ccc(s1)C)c1ccccc1C(F)(F)F |
| InChIKey | JYZLVNVGBRFRME-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 10 |
| Molecular weight (Da) | 654.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP4 | PE2R4 | Human | Prostanoid | A | pKi | 7.6 | 8.05 | 8.5 | Guide to Pharmacology |
| EP4 | PE2R4 | Rat | Prostanoid | A | pKi | 7.5 | 7.5 | 7.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| AT2 | AGTR2 | Rat | Angiotensin | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
| AT1 | AGTR1 | Rabbit | Angiotensin | A | pIC50 | 9.19 | 9.19 | 9.19 | ChEMBL |