Compound Detail
CHEMBL423693
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Basic Information
| ChEMBL ID | CHEMBL423693 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBIIUSCXSOABNW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
503.6
MW (Da)
7.09
ALogP
4
HBA
2
HBD
84.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 8.08 | 7.73 | 8.3 | 2 |
| B-cell line CHEMBL614724 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| RBL-1 CHEMBL614772 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 8.3 | nM | 8.08 | Compound was tested for inhibition of IgE production on human PBMC culture after... | 9046329 |
| B-cell line | IC50 | = | 12.0 | nM | 7.92 | Compound was tested for inhibition of IgE production on mouse B cells after trea... | 9046329 |
| ADMET | IC50 | = | 42.0 | nM | 7.38 | Inhibitory activity against IgG antibody production in PBMC | 9046329 |
| RBL-1 | IC50 | = | 1200.0 | nM | 5.92 | Compound was tested for inhibition of LTB4 production by rat basophilic leukemia... | 9046329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046329 | 10.1021/jm9605041 | ADMET | 6 |
| 9046329 | 10.1021/jm9605041 | B-cell line | 1 |
| 9046329 | 10.1021/jm9605041 | RBL-1 | 1 |
| 9046329 | 10.1021/jm9605041 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine