CHEMBL2334775
SMILES | C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H]1CCN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C1)c1ccco1 |
InChIKey | RIAOSVMITNWHAH-HFASDWQVSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 6 |
Rotatable bonds | 12 |
Molecular weight (Da) | 640.3 |
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 | 7.52 | 7.52 | 7.52 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.75 | 6.75 | 6.75 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 10.89 | 10.89 | 10.89 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Mouse | Opioid | A | pIC50 | 9.02 | 9.02 | 9.02 | ChEMBL |
δ | OPRD | Human | Opioid | A | pEC50 | 7.33 | 7.33 | 7.33 | ChEMBL |