Compound Detail
CHEMBL3648050
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Basic Information
| ChEMBL ID | CHEMBL3648050 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQYDNXSTJGPRLC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
4.65
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.34 | 8.34 | 4.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4.6 | nM | 8.34 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 4.6 | nM | 8.34 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
Data from ChEMBL 36 via Core Engine