CHEMBL388123
SMILES | Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1 |
InChIKey | GBDUIWBXAKZJPC-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 357.2 |
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 |
NOP | OPRX | Human | Opioid | A | pKi | 7.64 | 8.5 | 9.15 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.06 | 5.79 | 6.3 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.92 | 6.18 | 6.53 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.44 | 6.84 | 7.46 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
NOP | OPRX | Human | Opioid | A | pEC50 | 6.48 | 7.22 | 7.64 | ChEMBL |