Compound Detail
CHEMBL120089
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Basic Information
| ChEMBL ID | CHEMBL120089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDMNBLHGHILQCV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
238.3
MW (Da)
3.87
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.71 | 4.55 | 19600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1000.0 | nM | 6.0 | In vitro inhibitory activity against superoxide production from human neutrophil... | 7830278 |
| Protein skinhead-1 | IC50 | = | 19600.0 | nM | 4.71 | PubChem BioAssay. SAR analysis to confirm small molecule inhibitors of SKN-1 in ... | - |
| Protein skinhead-1 | IC50 | = | 40400.0 | nM | 4.39 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7830278 | 10.1021/jm00002a017 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine