Compound Detail
CHEMBL523818
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Basic Information
| ChEMBL ID | CHEMBL523818 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKMPKZLVZFPNDI-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
4.12
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.84
IC50 1 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | EC50 | 5.84 | 5.84 | 1430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 130.0 | nM | 6.89 | Inhibition of N-terminal flag-tagged Aurora A expressed in Escherichia coli BL21... | 19402633 |
| Tyrosine-protein kinase SYK | EC50 | = | 1430.0 | nM | 5.84 | Inhibition of SYK in human mast cell cultures assessed as reduction in IgE-induc... | 25872982 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25872982 | 10.1016/j.bmcl.2015.03.075 | Tyrosine-protein kinase SYK | 2 |
| 19402633 | 10.1021/jm9000314 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine