CHEMBL5192115
SMILES | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)C/C=C(\F)[C@@H](N)Cc1ccc(O)cc1)C(N)=O |
InChIKey | JRQWLWZTKLOPSQ-ICXILOJFSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 6 |
Rotatable bonds | 15 |
Molecular weight (Da) | 555.3 |
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 | 7.03 | 7.03 | 7.03 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.15 | 8.15 | 8.15 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pIC50 | 6.73 | 6.73 | 6.73 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 7.33 | 7.33 | 7.33 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 5.58 | 5.58 | 5.58 | ChEMBL |