Compound Detail
CHEMBL237570
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COc1ccc2cc(-c3c(-c4ccncc4)nc(-c4ccc([S+](C)[O-])cc4C)n3C)ccc2c1
Basic Information
| ChEMBL ID | CHEMBL237570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BARYYLFEOIUPEY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
6.02
ALogP
5
HBA
0
HBD
63.0
PSA (Ų)
0.30
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| TGF-beta receptor type-1 CHEMBL4439 | IC50 | 6.53 | 6.53 | 296.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| MAP kinase p38 CHEMBL2094115 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiopoietin-1 receptor | IC50 | = | 12.0 | nM | 7.92 | Inhibition of Tie2 | 17826092 |
| TGF-beta receptor type-1 | IC50 | = | 296.0 | nM | 6.53 | Inhibition of ALK5 | 17826092 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 550.0 | nM | 6.26 | Inhibition of cFMS | 17826092 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of VEGFR2 | 17826092 |
| MAP kinase p38 | IC50 | = | 4100.0 | nM | 5.39 | Inhibition of mitogen-activated protein kinase p38 | 17826092 |
| Fibroblast growth factor receptor 1 | IC50 | = | 9700.0 | nM | 5.01 | Inhibition of FGFR1 | 17826092 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase ABL1 | 14 |
| - | 10.6019/CHEMBL1961873 | Epidermal growth factor receptor | 10 |
| - | 10.6019/CHEMBL1961873 | Mast/stem cell growth factor receptor Kit | 8 |
| - | 10.6019/CHEMBL1961873 | Platelet-derived growth factor receptor alpha | 8 |
| - | 10.6019/CHEMBL1961873 | Proto-oncogene tyrosine-protein kinase receptor Ret | 6 |
| - | 10.6019/CHEMBL1961873 | Leucine-rich repeat serine/threonine-protein kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Tyrosine-protein kinase Lyn | 4 |
| - | 10.6019/CHEMBL1961873 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| - | 10.6019/CHEMBL1961873 | Serine/threonine-protein kinase B-raf | 4 |
| - | 10.6019/CHEMBL1961873 | Cyclin-dependent kinase 2 | 4 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C beta type | 4 |
| 17826092 | 10.1016/j.bmcl.2007.08.052 | Unchecked | 3 |
| - | 10.6019/CHEMBL1961873 | RAC-beta serine/threonine-protein kinase | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C gamma type | 2 |
| - | 10.6019/CHEMBL2007661 | Serine/threonine-protein kinase TBK1 | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C theta type | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C eta type | 2 |
| - | 10.6019/CHEMBL1961873 | Ribosomal protein S6 kinase alpha-4 | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C alpha type | 2 |
| - | 10.6019/CHEMBL1961873 | Protein kinase C iota type | 2 |
Data from ChEMBL 36 via Core Engine