CHEMBL4797769
SMILES | CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O |
InChIKey | BKBCMJYQMWAFCX-KWIWMOKLSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 15 |
Rotatable bonds | 30 |
Molecular weight (Da) | 1019.6 |
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 |
δ | OPRD | Human | Opioid | A | pKi | 5.34 | 5.34 | 5.34 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 5.07 | 5.07 | 5.07 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 6.4 | 6.4 | 6.4 | ChEMBL |