CHEMBL2347235
SMILES | C[C@H]1C2Cc3ccc(C(=O)NCCc4ccc(-c5ccncc5)cc4)cc3[C@@]1(C)CCN2CC1CC1 |
InChIKey | CHSJXCLVTANHOE-WTBOZYSNSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 479.3 |
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 | OPRD | Human | Opioid | A | pKi | 8.17 | 8.17 | 8.17 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.74 | 8.74 | 8.74 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 10.19 | 10.19 | 10.19 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.3 | 8.3 | 8.3 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.66 | 8.66 | 8.66 | ChEMBL |