naloxonazine
| SMILES | C=CCN1CC[C@@]23[C@@]4([C@H]1Cc1c3c(O[C@H]2/C(=N\N=C/2\CC[C@@]3([C@@]56[C@H]2Oc2c6c(C[C@H]3N(CC5)CC=C)ccc2O)O)/CC4)c(cc1)O)O |
| InChIKey | AJPSBXJNFJCCBI-HNJBNLCWSA-N |
Chemical properties
| Hydrogen bond acceptors | 10 |
| Hydrogen bond donors | 4 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 650.3 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | No |
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 | 7.7 | 7.7 | 7.7 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pIC50 | 6.7 | 6.7 | 6.7 | Guide to Pharmacology |
| GPER | GPER1 | Human | Estrogen (G protein-coupled) | A | pIC50 | 6.72 | 7.05 | 7.7 | ChEMBL |