Compound Detail
CHEMBL3330000
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Basic Information
| ChEMBL ID | CHEMBL3330000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXEPENIGNIKVLB-JXMROGBWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
2.43
ALogP
4
HBA
3
HBD
102.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone deacetylase CHEMBL2093865 | IC50 | 7.36 | 7.36 | 43.9 | 1 |
| RAW264.7 CHEMBL612557 | IC50 | 5.43 | 5.285 | 3700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone deacetylase | IC50 | = | 43.9 | nM | 7.36 | Inhibition of HDAC in human HeLa cells nuclear extracts incubated for 30 mins by... | 25113875 |
| RAW264.7 | IC50 | = | 3700.0 | nM | 5.43 | Anti-inflammatory activity in LPS-stimulated mouse RAW264.7 cells assessed as su... | 25113875 |
| RAW264.7 | IC50 | = | 7200.0 | nM | 5.14 | Anti-inflammatory activity in LPS-stimulated mouse RAW264.7 cells assessed as su... | 25113875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25113875 | 10.1016/j.ejmech.2014.08.020 | RAW264.7 | 4 |
| 25113875 | 10.1016/j.ejmech.2014.08.020 | Histone deacetylase | 1 |
| 25113875 | 10.1016/j.ejmech.2014.08.020 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine