Compound Detail
CHEMBL575052
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CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC(C(N)=O)C3)cc2OC)ncc1Br
Basic Information
| ChEMBL ID | CHEMBL575052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJBCCJLNWRJQSU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
590.5
MW (Da)
3.34
ALogP
9
HBA
4
HBD
151.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 200.0 | nM | 6.7 | Inhibition of human GST-fused ZAP-70 expressed in Sf9 cells | 19674816 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19674816 | 10.1016/j.ejmech.2009.07.018 | Tyrosine-protein kinase ZAP-70 | 1 |
Data from ChEMBL 36 via Core Engine