Compound Detail
CHEMBL573019
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CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)N(C)C)CC3)cc2OC)ncc1Cl
Basic Information
| ChEMBL ID | CHEMBL573019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHKKHZCLBRRQON-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
588.1
MW (Da)
4.61
ALogP
9
HBA
2
HBD
120.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ZAP-70 | IC50 | = | 40.0 | nM | 7.4 | 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