Compound Detail
CHEMBL364625
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COC(=O)C(CCN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1)(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL364625 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQVIWUMYUUQBQN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
5.54
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mu-type opioid receptor CHEMBL233 | Ki | 9.96 | 9.96 | 0.1 | 1 |
| Nociceptin receptor CHEMBL2014 | Ki | 7.11 | 7.11 | 78.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mu-type opioid receptor | Ki | = | 0.11 | nM | 9.96 | Binding affinity for recombinant human mu-opioid receptor was determined by usin... | 15454210 |
| Nociceptin receptor | Ki | = | 78.0 | nM | 7.11 | Binding affinity for opioid receptor like 1 expressed in HEK293 cells | 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