CHEMBL228857
SMILES | COc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 |
InChIKey | DFUCPZAAMSSVDD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 373.2 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 9.0 | 9.0 | 9.0 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 7.55 | 7.55 | 7.55 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 7.58 | 7.58 | 7.58 | ChEMBL |