Compound Detail
CHEMBL230719
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Basic Information
| ChEMBL ID | CHEMBL230719 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWNSXXDXAWRFHJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
4.25
ALogP
7
HBA
2
HBD
86.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| CT26 CHEMBL613866 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 15.0 | nM | 7.82 | Inhibition of Src | 17113292 |
| CT26 | IC50 | = | 6700.0 | nM | 5.17 | Antitumor activity against mouse CT26 cells | 17113292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113292 | 10.1016/j.bmcl.2006.11.006 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 17113292 | 10.1016/j.bmcl.2006.11.006 | CT26 | 1 |
Data from ChEMBL 36 via Core Engine