saredutant
| SMILES | CC(=O)NC1(CCN(CC1)CC[C@@H](c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccccc1)C)c1ccccc1 |
| InChIKey | PGKXDIMONUAMFR-AREMUKBSSA-N |
Chemical properties
| Hydrogen bond acceptors | 3 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 9 |
| Molecular weight (Da) | 551.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| EP1 | PE2R1 | Human | Prostanoid | A | pKi | 4.5 | 4.5 | 4.5 | Guide to Pharmacology |
| EP1 | PE2R1 | Rat | Prostanoid | A | pKi | 4.6 | 4.6 | 4.6 | Guide to Pharmacology |
| EP3 | PE2R3 | Bovine | Prostanoid | A | pKi | 5.0 | 5.26 | 5.52 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| M1 | ACM1 | Rat | Acetylcholine (muscarinic) | A | Potency | 5.0 | 6.0 | 7.0 | ChEMBL |