CHEMBL1649946
SMILES | CCC(=O)N(c1ccccc1)C1CCN(C(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)CC1 |
InChIKey | TYSGVXSEKGDKQO-VECIQGBVSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 5 |
Rotatable bonds | 14 |
Molecular weight (Da) | 716.4 |
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 | 10.52 | 10.52 | 10.52 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 11.0 | 11.0 | 11.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 9.92 | 9.92 | 9.92 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 10.19 | 10.19 | 10.19 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 9.16 | 9.16 | 9.16 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pIC50 | 10.81 | 10.81 | 10.81 | ChEMBL |