Compound Detail
CHEMBL385240
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Basic Information
| ChEMBL ID | CHEMBL385240 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDMCXVWGJLMNDD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
428.9
MW (Da)
4.52
ALogP
7
HBA
1
HBD
68.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.52 | 6.91 | 30.0 | 2 |
| A549 CHEMBL392 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 30.0 | nM | 7.52 | Inhibition of human c-Src in NIH3T3 cells | 17064066 |
| A549 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of A549 cell migration by microdroplet migration assay | 17064066 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 500.0 | nM | 6.3 | Antiproliferative activity against mouse NIH3T3 cell line transfected with c-SRC | 17064066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064066 | 10.1021/jm060434q | Proto-oncogene tyrosine-protein kinase Src | 2 |
| 17064066 | 10.1021/jm060434q | Vascular endothelial growth factor receptor 2 | 1 |
| 17064066 | 10.1021/jm060434q | A549 | 1 |
| 17064066 | 10.1021/jm060434q | VEGF-receptor 2 and tyrosine-protein kinase SRC | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine