CHEMBL2163921
SMILES | C=C(C(N)=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)c1ccccc1 |
InChIKey | GOKRYXUMRXWEKJ-MUFAAYGBSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 6 |
Rotatable bonds | 12 |
Molecular weight (Da) | 622.3 |
Drug properties
Molecular type | Small molecule |
Physiological/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 | 4.25 | 4.25 | 4.25 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.27 | 9.27 | 9.27 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
δ | OPRD | Mouse | Opioid | A | pIC50 | 8.12 | 8.12 | 8.12 | ChEMBL |
μ | OPRM | Human | Opioid | A | pEC50 | 9.8 | 9.8 | 9.8 | ChEMBL |