Compound Detail
CHEMBL105588
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Basic Information
| ChEMBL ID | CHEMBL105588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVVNJPGYPCSMJL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
3.57
ALogP
4
HBA
0
HBD
34.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bos taurus CHEMBL613489 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bos taurus | IC50 | = | 9000.0 | nM | 5.05 | In vitro inhibition of human recombinant IL-1-beta-induced breakdown of bovine c... | 7932530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932530 | 10.1021/jm00045a012 | Bos taurus | 1 |
Data from ChEMBL 36 via Core Engine