CHEMBL4650776
SMILES | Cc1cc(=O)oc2cc(NC(=O)CCN3C(=O)C4=C(SC[C@@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)C(=O)NCC(=O)N[C@@H](Cc5ccccc5)C(=O)NNC(=O)[C@H](Cc5ccccc5)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H](N)Cc5ccc(O)cc5)CS4)C3=O)ccc12 |
InChIKey | TZISJHJRDIAPKU-WNTLKJHNSA-N |
Chemical properties
Hydrogen bond acceptors | 19 |
Hydrogen bond donors | 13 |
Rotatable bonds | 16 |
Molecular weight (Da) | 1294.4 |
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 | 7.01 | 7.01 | 7.01 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pEC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.0 | 6.0 | 6.0 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 6.57 | 6.57 | 6.57 | ChEMBL |