ARRY-502
SMILES | COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O |
InChIKey | QIDYUNXQPQEJEC-IBGZPJMESA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 515.1 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | Yes |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Guinea pig | Opioid | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 7.44 | 7.44 | 7.44 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 9.38 | 9.38 | 9.38 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
μ | OPRM | Human | Opioid | A | pEC50 | 8.1 | 8.1 | 8.1 | ChEMBL |