Compound Detail
CHEMBL398422
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Basic Information
| ChEMBL ID | CHEMBL398422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ADCQRIVAZWFZCZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
3.25
ALogP
6
HBA
4
HBD
121.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK CHEMBL2480 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Tyrosine-protein kinase TXK CHEMBL4367 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 7.01 | 7.01 | 97.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase LCK | IC50 | = | 12.0 | nM | 7.92 | Inhibition of murine Lck by TR-FRET assay | 17600705 |
| Tyrosine-protein kinase TXK | IC50 | = | 28.0 | nM | 7.55 | Inhibition of Txk | 17600705 |
| Tyrosine-protein kinase Lyn | IC50 | = | 40.0 | nM | 7.4 | Inhibition of Lyn | 17600705 |
| Tyrosine-protein kinase BTK | IC50 | = | 97.0 | nM | 7.01 | Inhibition of Btk | 17600705 |
| Tyrosine-protein kinase SYK | IC50 | = | 220.0 | nM | 6.66 | Inhibition of Syk | 17600705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Proto-oncogene tyrosine-protein kinase LCK | 1 |
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Tyrosine-protein kinase BTK | 1 |
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Tyrosine-protein kinase Lyn | 1 |
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Tyrosine-protein kinase SYK | 1 |
| 17600705 | 10.1016/j.bmcl.2007.04.029 | Tyrosine-protein kinase TXK | 1 |
Data from ChEMBL 36 via Core Engine