CHEMBL2387212
SMILES | CC(C)[C@H](NC(=O)[C@H](CCC(=O)NCC(=O)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C |
InChIKey | ONBTXPSIQFFZPI-FBYZWIEBSA-N |
Chemical properties
Hydrogen bond acceptors | None |
Hydrogen bond donors | None |
Rotatable bonds | None |
Molecular weight (Da) |
Drug properties
Molecular type | Na |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pKi | 8.82 | 8.82 | 8.82 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.62 | 7.62 | 7.62 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Rat | Opioid | A | pEC50 | 6.66 | 6.66 | 6.66 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 7.05 | 7.05 | 7.05 | ChEMBL |
δ | OPRD | Mouse | Opioid | A | pIC50 | 6.92 | 6.92 | 6.92 | ChEMBL |