CHEMBL412325
SMILES | CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N(C)C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC |
InChIKey | JENWDDCMEATQSR-NGXVWMITSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 13 |
Rotatable bonds | 33 |
Molecular weight (Da) | 1035.6 |
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 | Mouse | Opioid | A | pKi | 8.72 | 8.72 | 8.72 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 8.13 | 8.13 | 8.13 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 8.59 | 8.59 | 8.59 | ChEMBL |