naloxone
| SMILES | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2C(=O)CC4)c(cc1)O)O |
| InChIKey | UZHSEJADLWPNLE-GRGSLBFTSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 2 |
| Molecular weight (Da) | 327.1 |
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 |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 8.0 | 8.0 | 8.0 | Guide to Pharmacology |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pKi | 7.96 | 8.02 | 8.15 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pEC50 | 5.84 | 7.75 | 8.7 | ChEMBL |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pIC50 | 7.96 | 7.96 | 7.96 | ChEMBL |