CHEMBL4784791
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(N)=O |
InChIKey | PKQRJPBKUMUYJS-RDUCGPRXSA-N |
Chemical properties
Hydrogen bond acceptors | 15 |
Hydrogen bond donors | 18 |
Rotatable bonds | 38 |
Molecular weight (Da) | 1204.7 |
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 | 8.44 | 8.44 | 8.44 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 10.15 | 10.15 | 10.15 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.03 | 9.03 | 9.03 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Human | Opioid | A | pIC50 | 8.16 | 8.16 | 8.16 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 9.88 | 9.88 | 9.88 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 8.74 | 8.74 | 8.74 | ChEMBL |