Compound Detail
CHEMBL1824567
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Basic Information
| ChEMBL ID | CHEMBL1824567 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XLTITIJKWVRJMS-DLBZAZTESA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.48
ALogP
5
HBA
5
HBD
101.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.5
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 3130.0 | nM | 5.5 | Inhibition of LPS-induced nitric oxide production in mouse RAW264.7 cells after ... | 21807513 |
| Unchecked | IC50 | = | 9600.0 | nM | 5.02 | Inhibition of urease (unknown origin) using urea as substrate preincubated for 3... | 38516598 |
| RAW264.7 | IC50 | = | 27000.0 | nM | 4.57 | Antiinflammatory activity in mouse RAW264.7 cells assessed as inhibition of LPS-... | 33422907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23910596 | 10.1016/j.bmcl.2013.07.010 | NON-PROTEIN TARGET | 4 |
| 21807513 | 10.1016/j.bmcl.2011.07.012 | RAW264.7 | 2 |
| 23910596 | 10.1016/j.bmcl.2013.07.010 | ADMET | 2 |
| 23910596 | 10.1016/j.bmcl.2013.07.010 | Tyrosinase | 1 |
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 1 |
| 38516598 | 10.1039/d3md00645j | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine