Compound Detail
CHEMBL41465
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Basic Information
| ChEMBL ID | CHEMBL41465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCIILWHQWNLPJU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
515.4
MW (Da)
6.28
ALogP
7
HBA
1
HBD
79.6
PSA (Ų)
0.38
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.62 | 8.365 | 2.4 | 2 |
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Src-transformed CHEMBL614302 | IC50 | 6.64 | 6.64 | 230.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2.4 | nM | 8.62 | Inhibition of Src protein tyrosine kinase | 14552782 |
| Tyrosine-protein kinase ABL | IC50 | = | 2.9 | nM | 8.54 | Inhibition of Abl kinase | 15027848 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 7.7 | nM | 8.11 | Inhibition of recombinant human Src kinase | 15027848 |
| Src-transformed | IC50 | = | 230.0 | nM | 6.64 | Inhibition of Src-transformed cell proliferation | 14552782 |
| Src-transformed | IC50 | = | 230.0 | nM | 6.64 | Inhibition of Src-transformed cell proliferation | 15027848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14552782 | 10.1016/j.bmcl.2003.07.001 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 14552782 | 10.1016/j.bmcl.2003.07.001 | Src-transformed | 1 |
| 15027848 | 10.1021/jm0499458 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 15027848 | 10.1021/jm0499458 | Src-transformed | 1 |
| 15027848 | 10.1021/jm0499458 | Tyrosine-protein kinase ABL | 1 |
Data from ChEMBL 36 via Core Engine