Compound Detail
CHEMBL207982
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Basic Information
| ChEMBL ID | CHEMBL207982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUNWCEDDQDAMTK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.6
MW (Da)
5.86
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2J2 CHEMBL3491 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2J2 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of human recombinant CYP2J2 expressed in baculovirus-infected Sf9 ins... | 16495056 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16495056 | 10.1016/j.bmcl.2006.02.004 | Cytochrome P450 2J2 | 1 |
Data from ChEMBL 36 via Core Engine