CHEMBL4575678
SMILES | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc21 |
InChIKey | XOXIGOYEWHFRCB-GORMCOKISA-N |
Chemical properties
Hydrogen bond acceptors | 9 |
Hydrogen bond donors | 7 |
Rotatable bonds | 21 |
Molecular weight (Da) | 851.4 |
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 |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.2 | 7.2 | 7.2 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pKi | 8.68 | 8.68 | 8.68 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CB2 | CNR2 | Rat | Cannabinoid | A | pEC50 | 6.17 | 6.17 | 6.17 | ChEMBL |
CB1 | CNR1 | Rat | Cannabinoid | A | pEC50 | 6.42 | 6.42 | 6.42 | ChEMBL |
μ | OPRM | Rat | Opioid | A | pEC50 | 5.83 | 5.83 | 5.83 | ChEMBL |