compound 3 [PMID: 23134120]
SMILES | Oc1cccc(c1)CCN(CC1CC1)CCc1ccccc1 |
InChIKey | QURAQIGQNZYJHP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 295.2 |
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 |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.93 | 6.93 | 6.93 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.77 | 6.77 | 6.77 | Guide to Pharmacology |
κ | OPRK | Human | Opioid | A | pKi | 8.23 | 8.23 | 8.23 | Guide to Pharmacology |
μ | OPRM | Human | Opioid | A | pKi | 6.08 | 6.08 | 6.08 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 8.23 | 8.23 | 8.23 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.93 | 6.93 | 6.93 | ChEMBL |
μ | OPRM | Human | Opioid | 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 | 7.46 | 7.46 | 7.46 | Guide to Pharmacology |
D3 | DRD3 | Human | Dopamine | A | pEC50 | 7.49 | 7.49 | 7.49 | ChEMBL |
κ | OPRK | Human | Opioid | A | pEC50 | 6.35 | 7.08 | 7.46 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pEC50 | 6.74 | 6.74 | 6.74 | ChEMBL |