Compound Detail
CHEMBL3103243
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Basic Information
| ChEMBL ID | CHEMBL3103243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ASTIXQNOCMZFEM-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.57
ALogP
5
HBA
0
HBD
73.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 8.4 | 6.1467 | 4.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 4.02 | nM | 8.4 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 24360561 |
| RAW264.7 | IC50 | = | 9200.0 | nM | 5.04 | Cytotoxicity against mouse RAW264.7 cells after 24 hrs by MTT assay | 24360561 |
| RAW264.7 | IC50 | = | 10000.0 | nM | 5.0 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 24360561 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24360561 | 10.1016/j.bmcl.2013.12.018 | RAW264.7 | 6 |
Data from ChEMBL 36 via Core Engine