Compound Detail
CHEMBL121164
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Basic Information
| ChEMBL ID | CHEMBL121164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTQUTWBYPYCZOZ-UHFFFAOYSA-N |
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.98
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 10.0 | 7.125 | 0.1 | 6 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 0.1 | nM | 10.0 | Inhibitory activity against LPS-stimulated IL-1 beta release from human monocyte... | 9934491 |
| Homo sapiens | IC50 | = | 130.0 | nM | 6.89 | Compound was tested for inhibitory effect on LPS-stimulated IL-1 alpha release f... | 9934491 |
| Homo sapiens | IC50 | = | 190.0 | nM | 6.72 | Compound was tested for inhibitory effect on LPS-stimulated TNF-alpha release fr... | 9934491 |
| Homo sapiens | IC50 | = | 340.0 | nM | 6.47 | Compound was tested for inhibitory effect on LPS-stimulated IL-6 release from hu... | 9934491 |
| Homo sapiens | IC50 | = | 450.0 | nM | 6.35 | Compound was tested for inhibitory effect on LPS-stimulated PGE-2 release from h... | 9934491 |
| Homo sapiens | IC50 | = | 480.0 | nM | 6.32 | Compound was tested for inhibitory effect on LPS-stimulated IL-8 release from hu... | 9934491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9934491 | 10.1016/s0960-894x(98)00671-4 | Homo sapiens | 6 |
Data from ChEMBL 36 via Core Engine