Compound Detail
CHEMBL218102
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Basic Information
| ChEMBL ID | CHEMBL218102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIHAXQZQWYILHF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
6.08
ALogP
6
HBA
1
HBD
63.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 8.0 | 7.995 | 10.0 | 4 |
| CT26 CHEMBL613866 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes | IC50 | = | 2.6 | nM | 8.59 | Inhibition of human recombinant Yes using PTK2 substrate incubated for 90 mins b... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant Src kinase | 16931012 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Src | 17113292 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.2 | nM | 7.99 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 10.2 | nM | 7.99 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| CT26 | IC50 | = | 2500.0 | nM | 5.6 | Antitumor activity against mouse CT26 cells | 17113292 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16931012 | 10.1016/j.bmcl.2006.08.035 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 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