Compound Detail
CHEMBL481379
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CN(C(=O)c1ccccc1)c1ccc2c(c1)[nH]/c(=N\C(=O)c1ccc(Cl)s1)n2CCC(N)=O
Basic Information
| ChEMBL ID | CHEMBL481379 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWMHHWHCWTVGOV-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.0
MW (Da)
3.58
ALogP
5
HBA
2
HBD
113.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | IC50 | 7.85 | 7.065 | 14.0 | 2 |
| Insulin receptor CHEMBL1981 | IC50 | 6.42 | 6.42 | 380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 14.0 | nM | 7.85 | Inhibition of ITK by DELFIA method | 19111460 |
| Insulin receptor | IC50 | = | 380.0 | nM | 6.42 | Inhibition of IRK | 19111460 |
| Tyrosine-protein kinase ITK/TSK | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human ITK expressed in chicken DT40 cells assessed as calcium infl... | 19111460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19111460 | 10.1016/j.bmcl.2008.12.028 | Tyrosine-protein kinase ITK/TSK | 2 |
| 19111460 | 10.1016/j.bmcl.2008.12.028 | Insulin receptor | 1 |
Data from ChEMBL 36 via Core Engine