Compound Detail
CHEMBL142987
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Basic Information
| ChEMBL ID | CHEMBL142987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYISVMYLOFSZIF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
458.0
MW (Da)
6.65
ALogP
5
HBA
2
HBD
61.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.19 | 5.535 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 640.0 | nM | 6.19 | Inhibition of the release of interleukin-1-beta from peripheral blood mononuclea... | 12361396 |
| ADMET | IC50 | = | 13300.0 | nM | 4.88 | 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 |
Data from ChEMBL 36 via Core Engine