CHEMBL3916263
SMILES | O=C1NC(=O)[C@@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1 |
InChIKey | QCIIDNPIIDWWMQ-BDTNDASRSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 3 |
Rotatable bonds | 2 |
Molecular weight (Da) | 381.2 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 6.38 | 6.38 | 6.38 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |