CYPRODIME
SMILES | COc1cccc2c1[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(OC)CCC(=O)C3 |
InChIKey | INUCRGMCKDQKNA-CEMLEFRQSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 4 |
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 | Rat | Opioid | A | pKi | 6.38 | 6.38 | 6.38 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pKi | 6.96 | 7.05 | 7.21 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 4.97 | 6.47 | 7.97 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.98 | 7.1 | 7.21 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.97 | 7.97 | 7.97 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.93 | 6.93 | 6.93 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 7.69 | 7.69 | 7.69 | ChEMBL |