Compound Detail
CHEMBL133470
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Basic Information
| ChEMBL ID | CHEMBL133470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEGLTDUHFVFWLS-FYWRMAATSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.5
MW (Da)
6.00
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1880.0 | nM | 5.73 | Inhibitory activity against IgE antibody production in PBMC | 9046329 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9046329 | 10.1021/jm9605041 | ADMET | 5 |
Data from ChEMBL 36 via Core Engine