CHEMBL4755734
SMILES | CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@H](NCC(=O)O)CC[C@@]3(O)[C@H]1C5 |
InChIKey | JITPSJUABLLMAD-GCQGFVAMSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 4 |
Rotatable bonds | 3 |
Molecular weight (Da) | 360.2 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.35 | 7.35 | 7.35 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 9.08 | 9.08 | 9.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.44 | 6.44 | 6.44 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.42 | 8.42 | 8.42 | ChEMBL |