CHEMBL4757601
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)CNC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O |
InChIKey | BOINVTPNMVFXLH-RDUCGPRXSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 18 |
Rotatable bonds | 38 |
Molecular weight (Da) | 1205.7 |
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 | 8.21 | 8.21 | 8.21 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 9.37 | 9.37 | 9.37 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 8.2 | 8.2 | 8.2 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 7.69 | 7.69 | 7.69 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 9.05 | 9.05 | 9.05 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 7.88 | 7.88 | 7.88 | ChEMBL |