Compound Detail
CHEMBL2064462
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Basic Information
| ChEMBL ID | CHEMBL2064462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQHKJBSWBPEJCG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.44
ALogP
2
HBA
0
HBD
40.9
PSA (Ų)
0.50
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 6.82 | 6.82 | 151.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 151.9 | nM | 6.82 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of IFNg... | 22533790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22533790 | 10.1021/jm3003922 | RAW264.7 | 1 |
| 22533790 | 10.1021/jm3003922 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 27460172 | 10.1016/j.bmcl.2016.07.028 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine