CHEMBL2367604
SMILES | C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C[C@@H]1CCCO1 |
InChIKey | NLKLXMMOJZHSCB-IVJVFBROSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 2 |
Molecular weight (Da) | 301.2 |
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 |
δ | A0A286XTF2 | Guinea pig | Opioid | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 10.05 | 10.11 | 10.14 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 8.6 | 8.6 | 8.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 8.77 | 8.77 | 8.77 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.4 | 8.7 | 9.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.57 | 8.57 | 8.57 | ChEMBL |