CHEMBL2180641
SMILES | CCCCCCN(CCc1ccccc1)CCc1cccc(O)c1 |
InChIKey | XNXKEYCDXWQUQU-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 11 |
Molecular weight (Da) | 325.2 |
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 | 5.94 | 5.94 | 5.94 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.45 | 5.45 | 5.45 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 6.85 | 6.85 | 6.85 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
κ | OPRK | Human | Opioid | A | pEC50 | 6.19 | 6.19 | 6.19 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |