Compound Detail
CHEMBL184496
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[O-][N+]1(CCC(c2ccccc2)c2ccccc2)CCC(O)(c2cccc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL184496 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGZZPQUSXMOPHW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
6.22
ALogP
2
HBA
1
HBD
43.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 5.09 | 5.09 | 8128.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 8128.0 | nM | 5.09 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Nociceptin receptor | 3 |
| 15454210 | 10.1016/j.bmcl.2004.08.032 | Mu-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine