Compound Detail
CHEMBL437004
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Basic Information
| ChEMBL ID | CHEMBL437004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YHHHJKZCRBUOTD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
5.23
ALogP
7
HBA
1
HBD
76.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.25 | 8.22 | 5.6 | 2 |
| Ephrin type-B receptor 4 CHEMBL5147 | IC50 | 6.89 | 6.89 | 128.0 | 1 |
| CT26 CHEMBL613866 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 5.6 | nM | 8.25 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 6.4 | nM | 8.19 | Inhibition of Src | 17113292 |
| Ephrin type-B receptor 4 | IC50 | = | 128.0 | nM | 6.89 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| CT26 | IC50 | = | 2400.0 | nM | 5.62 | 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