CHEMBL178318
SMILES | Cc1ccc(Cl)c(OC(CC(C)C)C(O)CN2CCC(n3c(O)nc4ccccc43)CC2)c1 |
InChIKey | VYTBQMRFXSJOGU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 471.2 |
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 |
μ | OPRM | Human | Opioid | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
NOP | OPRX | Human | Opioid | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pIC50 | 5.97 | 5.97 | 5.97 | ChEMBL |