Compound Detail
CHEMBL358042
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Basic Information
| ChEMBL ID | CHEMBL358042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXPRVORBTUKYAU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
440.0
MW (Da)
5.82
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.5 | 6.005 | 320.0 | 2 |
| Mitogen-activated protein kinase 14 CHEMBL260 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 320.0 | nM | 6.5 | Inhibition of the release of interleukin-1-beta from peripheral blood mononuclea... | 12361396 |
| Mitogen-activated protein kinase 14 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of Mitogen-activated protein kinase p38 (P38 MAPK) | 12361396 |
| ADMET | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of the release of tumor necrosis factor alpha from peripheral blood m... | 12361396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361396 | 10.1021/jm020873z | ADMET | 2 |
| 12361396 | 10.1021/jm020873z | Mitogen-activated protein kinase 14 | 1 |
Data from ChEMBL 36 via Core Engine