Compound Detail
CHEMBL2332870
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O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL2332870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYHSLBIWHZGQQA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
482.3
MW (Da)
5.83
ALogP
5
HBA
3
HBD
104.8
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.77 | 7.77 | 17.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL2331049 | IC50 | 5.29 | 5.29 | 5180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of FLT3-ITD mutant in human MV4-11 cells assessed as decrease in cell... | 23362959 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 5180.0 | nM | 5.29 | Inhibition of VEGFR2 in transgenic zebrafish embryo assessed as inhibition of in... | 23362959 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23362959 | 10.1021/jm301537p | Vascular endothelial growth factor receptor 2 | 1 |
| 23362959 | 10.1021/jm301537p | HeLa | 1 |
| 23362959 | 10.1021/jm301537p | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine