Compound Detail
CHEMBL488398
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Basic Information
| ChEMBL ID | CHEMBL488398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIRKAEODFOWBCH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
461.6
MW (Da)
4.33
ALogP
8
HBA
1
HBD
94.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.27 | 6.27 | 540.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 46.0 | nM | 7.34 | Inhibition of ITK by DELPHIA assay | 18823779 |
| Unchecked | IC50 | = | 540.0 | nM | 6.27 | Inhibition of ITK in chicken DT40 B cells assessed as calcium flux inhibition as... | 18823779 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18823779 | 10.1016/j.bmcl.2008.09.016 | Tyrosine-protein kinase ITK/TSK | 1 |
| 18823779 | 10.1016/j.bmcl.2008.09.016 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine