CHEMBL3979449
SMILES | Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)CC(CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CCCNC(=N)N)NC1=O |
InChIKey | XJICZSFDDRDJQG-KFFZLYEBSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 9 |
Rotatable bonds | 12 |
Molecular weight (Da) | 636.4 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 9.11 | 9.11 | 9.11 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 9.91 | 9.91 | 9.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |