CHEMBL2180637
SMILES | CCCCCN(CCc1ccccc1)CCc1cccc(O)c1 |
InChIKey | CRDPGPNGVQWYOK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 10 |
Molecular weight (Da) | 311.2 |
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 |
D3 | DRD3 | Human | Dopamine | A | pKi | 5.96 | 5.96 | 5.96 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 7.9 | 7.9 | 7.9 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.49 | 6.49 | 6.49 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 7.06 | 7.06 | 7.06 | ChEMBL |
κ | OPRK | Guinea pig | Opioid | A | pIC50 | 7.24 | 7.24 | 7.24 | ChEMBL |