CHEMBL4112830
SMILES | CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(=N)N)C(=O)N1CCC(N)(C(=O)O)CC1 |
InChIKey | TUUMUSBWYOZQHE-SKKKGAJSSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 9 |
Rotatable bonds | 19 |
Molecular weight (Da) | 721.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 9.92 | 9.92 | 9.92 | ChEMBL |
κ | OPRK | Mouse | Opioid | A | pEC50 | 10.37 | 10.37 | 10.37 | ChEMBL |