Compound Detail
CHEMBL5285357
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Basic Information
| ChEMBL ID | CHEMBL5285357 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATTKNMWCPOFQHD-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
3.39
ALogP
7
HBA
1
HBD
87.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK CHEMBL5251 | IC50 | 8.66 | 8.66 | 2.2 | 1 |
| Tyrosine-protein kinase Tec CHEMBL4246 | IC50 | 8.28 | 8.28 | 5.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase BTK | IC50 | = | 2.2 | nM | 8.66 | Irreversible inhibition of BTK (unknown origin) | 34479103 |
| Tyrosine-protein kinase Tec | IC50 | = | 5.3 | nM | 8.28 | Inhibition of TEC (unknown origin) | 34479103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34479103 | 10.1016/j.bmc.2021.116358 | Tyrosine-protein kinase BTK | 1 |
| 34479103 | 10.1016/j.bmc.2021.116358 | Tyrosine-protein kinase Tec | 1 |
| 34479103 | 10.1016/j.bmc.2021.116358 | Tyrosine-protein kinase Lck | 1 |
| 34479103 | 10.1016/j.bmc.2021.116358 | Tyrosine-protein kinase Lyn | 1 |
| 34479103 | 10.1016/j.bmc.2021.116358 | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine