Compound Detail
CHEMBL48852
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CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2C(F)(F)F)N2CCN(CCc3ccccc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL48852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFBRLBRAUDQILR-MJPNWULPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
6.13
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Delta-type opioid receptor CHEMBL269 | Ki | 6.26 | 6.26 | 545.0 | 1 |
| Mu-type opioid receptor CHEMBL270 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Delta-type opioid receptor | Ki | = | 545.0 | nM | 6.26 | Inhibition of binding of [3H]-DPDPE to opioid receptor delta 1 from rat brain me... | 11425550 |
| Mu-type opioid receptor | Ki | = | 1000.0 | nM | 6.0 | Inhibition of binding of [3H]DAMGO to opioid receptor mu 1 from rat brain membra... | 11425550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Delta-type opioid receptor | 1 |
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Mu-type opioid receptor | 1 |
| 11425550 | 10.1016/s0960-894x(01)00272-4 | Opioid receptors; mu & delta | 1 |
Data from ChEMBL 36 via Core Engine