Compound Detail
CHEMBL143482
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Basic Information
| ChEMBL ID | CHEMBL143482 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGVROWBQGPUNBZ-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
439.5
MW (Da)
4.97
ALogP
5
HBA
1
HBD
75.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.48 | 6.04 | 330.0 | 2 |
| Homo sapiens CHEMBL372 | IC50 | 5.54 | 5.04 | 2900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 330.0 | nM | 6.48 | Inhibition of the release of interleukin-1-beta from peripheral blood mononuclea... | 12361396 |
| ADMET | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of the release of tumor necrosis factor alpha from peripheral blood m... | 12361396 |
| Homo sapiens | IC50 | = | 2900.0 | nM | 5.54 | Ability to inhibit the release of interleukin-1-beta (IL-1 beta) from whole bloo... | 12361396 |
| Homo sapiens | IC50 | = | 28800.0 | nM | 4.54 | Ability to inhibit the release of tumor necrosis factor alpha (TNF-alpha) from w... | 12361396 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361396 | 10.1021/jm020873z | ADMET | 2 |
| 12361396 | 10.1021/jm020873z | Homo sapiens | 2 |
Data from ChEMBL 36 via Core Engine