CHEMBL4594798
SMILES | N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSCc2ccccc2CSC[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)NNC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)CNC1=O |
InChIKey | HUKZLTAJYFZXKH-NKQBFHEZSA-N |
Chemical properties
Hydrogen bond acceptors | 14 |
Hydrogen bond donors | 12 |
Rotatable bonds | 12 |
Molecular weight (Da) | 1110.4 |
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 | 8.31 | 8.31 | 8.31 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.8 | 7.8 | 7.8 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.85 | 6.85 | 6.85 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 8.05 | 8.05 | 8.05 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.09 | 6.09 | 6.09 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 8.12 | 8.12 | 8.12 | ChEMBL |