Compound Detail
CHEMBL5276513
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Basic Information
| ChEMBL ID | CHEMBL5276513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXCUTPFDMXWBOJ-JOEIGAFWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
3.58
ALogP
5
HBA
4
HBD
98.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.54 | 5.295 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2900.0 | nM | 5.54 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 33422907 |
| RAW264.7 | IC50 | = | 9000.0 | nM | 5.05 | Cytotoxicity against mouse RAW264.7 cells assessed as reduction in cell viabilit... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine