CHEMBL1774947
SMILES | CO[C@@]12CCCC[C@@]13CCN(CC1CCC1)[C@@H]2Cc1ccc(OC(=O)CCCCCCCCC(=O)Oc2ccc4c(c2)[C@@]25CCCC[C@@]2(OC)[C@@H](C4)N(CC2CCC2)CC5)cc13 |
InChIKey | OHXOHFFJLNRYPZ-YWQRWGLESA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 0 |
Rotatable bonds | 17 |
Molecular weight (Da) | 848.6 |
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 | 7.89 | 7.89 | 7.89 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.43 | 9.43 | 9.43 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.59 | 9.59 | 9.59 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 8.62 | 8.62 | 8.62 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 7.77 | 7.77 | 7.77 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 6.58 | 6.58 | 6.58 | ChEMBL |