Compound Detail
CHEMBL143005
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Basic Information
| ChEMBL ID | CHEMBL143005 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWJIVHCDHQPBPM-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
5.39
ALogP
4
HBA
0
HBD
48.4
PSA (Ų)
0.37
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.89 | 4.815 | 12900.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 4.71 | 4.71 | 19300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 12900.0 | nM | 4.89 | Inhibitory activity against neutrophil degranulation by measuring the content of... | 12361395 |
| Rattus norvegicus | IC50 | = | 18300.0 | nM | 4.74 | Inhibitory activity against neutrophil degranulation by measuring the content of... | 12361395 |
| RAW264.7 | IC50 | = | 19300.0 | nM | 4.71 | Inhibitory activity against TNF-alpha release in RAW 264.7 cells in the supernat... | 12361395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361395 | 10.1021/jm020102v | Rattus norvegicus | 5 |
| 12361395 | 10.1021/jm020102v | N9 | 2 |
| 12361395 | 10.1021/jm020102v | Beta-glucuronidase | 1 |
| 12361395 | 10.1021/jm020102v | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine