Compound Detail
CHEMBL40912
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Basic Information
| ChEMBL ID | CHEMBL40912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCFQNCQMGGRGHM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
5.20
ALogP
6
HBA
1
HBD
70.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL CHEMBL2111414 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.2 | 7.2 | 63.0 | 1 |
| Src-transformed CHEMBL614302 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase ABL | IC50 | = | 38.0 | nM | 7.42 | Inhibition of Abl kinase | 15027848 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 63.0 | nM | 7.2 | Inhibition of recombinant human Src kinase | 15027848 |
| Src-transformed | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Src-transformed cell proliferation | 15027848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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