CHEMBL373984
SMILES | Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 |
InChIKey | FYEXOHKTNZXZQH-KKEISOQISA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 3 |
Rotatable bonds | 10 |
Molecular weight (Da) | 732.4 |
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 | 8.82 | 8.82 | 8.82 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.55 | 9.55 | 9.55 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.16 | 9.16 | 9.16 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 8.55 | 8.55 | 8.55 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 8.41 | 8.41 | 8.41 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 8.22 | 8.22 | 8.22 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.01 | 7.01 | 7.01 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.05 | 8.05 | 8.05 | ChEMBL |