Compound Detail
CHEMBL386584
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Basic Information
| ChEMBL ID | CHEMBL386584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UNJMEZAIQIBRQJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
398.9
MW (Da)
4.51
ALogP
6
HBA
1
HBD
59.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | 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 | = | 300.0 | nM | 6.52 | Inhibition of human c-Src in NIH3T3 cells | 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 |
Data from ChEMBL 36 via Core Engine