CHEMBL387016
SMILES | COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 |
InChIKey | DSMNGWOUQMYTJH-MBPVOVBZSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 3 |
Molecular weight (Da) | 355.2 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 6.57 | 6.57 | 6.57 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 6.39 | 6.39 | 6.39 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.02 | 7.02 | 7.02 | ChEMBL |