Compound Detail
CHEMBL122744
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Basic Information
| ChEMBL ID | CHEMBL122744 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVQUQGLRQPMJPU-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
500.4
MW (Da)
5.18
ALogP
7
HBA
1
HBD
73.7
PSA (Ų)
0.43
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.06 | 7.3733 | 8.7 | 3 |
| Src-transformed CHEMBL614302 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.7 | nM | 8.06 | Inhibition of Src protein tyrosine kinase | 14552782 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8.7 | nM | 8.06 | Inhibitory activity against human c-Src Kinase was measured using ELISA assay | 11262092 |
| Src-transformed | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Src-transformed cell proliferation | 14552782 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Src-transformed rat fibroblast proliferation in anchorage independ... | 11262092 |
| Tyrosine-protein kinase Fyn | IC50 | = | 2900.0 | nM | 5.54 | Inhibition of Fyn-transformed rat fibroblast proliferation in anchorage independ... | 11262092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11262092 | 10.1021/jm000420z | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 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 |
| 11262092 | 10.1021/jm000420z | Tyrosine-protein kinase Fyn | 1 |
Data from ChEMBL 36 via Core Engine