Compound Detail
CHEMBL230614
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Basic Information
| ChEMBL ID | CHEMBL230614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRRYSZJODUIJIM-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.99
ALogP
7
HBA
1
HBD
66.4
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes CHEMBL2073 | IC50 | 8.11 | 8.11 | 7.7 | 2 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.68 | 7.68 | 21.0 | 3 |
| CT26 CHEMBL613866 | IC50 | 5.18 | 5.18 | 6600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Yes | IC50 | = | 7.7 | nM | 8.11 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Tyrosine-protein kinase Yes | IC50 | = | 7.7 | nM | 8.11 | Inhibition of human recombinant Yes using PTK2 substrate incubated for 90 mins b... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Src | 17113292 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Luciferase-Based Assay: Recombinant human c-Src or Yes (28 ng/well, Panvera/Invi... | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins... | - |
| CT26 | IC50 | = | 6600.0 | nM | 5.18 | 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