Compound Detail
CHEMBL103307
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Basic Information
| ChEMBL ID | CHEMBL103307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLAOAGFXNCEZMZ-UKTHLTGXSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.88
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL3337 | IC50 | 5.57 | 5.57 | 2691.5 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.59 | 4.59 | 25700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of FLT3 by ELISA-based kinase assay | 20117004 |
| Proto-oncogene tyrosine-protein kinase receptor Ret | IC50 | = | 2300.0 | nM | 5.64 | Inhibition of human recombinant His-tagged RET expressed in Sf9 insect cells | 20117004 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 2691.53 | nM | 5.57 | Inhibitory activity against vascular endothelial growth factor receptor 2 (FLK1) | 10956210 |
| NON-PROTEIN TARGET | IC50 | = | 16000.0 | nM | 4.8 | Growth inhibition of mouse BaPTC2 cells assessed as incorporation of [3H]thymidi... | 20117004 |
| MDA-MB-231 | IC50 | = | 17500.0 | nM | 4.76 | Antiproliferative activity against estrogen-independent breast cancer MDA-MB-231... | 16213720 |
| MCF7 | IC50 | = | 25700.0 | nM | 4.59 | Antiproliferative activity against estrogen-dependent breast cancer MCF7 cell li... | 16213720 |
| Plasmodium falciparum | IC50 | = | 42000.0 | nM | 4.38 | Antimicrobial activity against Plasmodium falciparum | 20185316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20117004 | 10.1016/j.bmc.2010.01.011 | NON-PROTEIN TARGET | 2 |
| 37054760 | 10.1016/j.bmcl.2023.129283 | Glycogen synthase kinase-3 beta | 2 |
| 10956210 | 10.1021/jm990609e | Vascular endothelial growth factor receptor 2 | 1 |
| 12930149 | 10.1021/jm0300983 | Protein kinase Pfmrk | 1 |
| 16213720 | 10.1016/j.bmcl.2005.09.001 | PC-3 | 1 |
| 16213720 | 10.1016/j.bmcl.2005.09.001 | MCF7 | 1 |
| 16213720 | 10.1016/j.bmcl.2005.09.001 | MDA-MB-231 | 1 |
| 16213720 | 10.1016/j.bmcl.2005.09.001 | Tubulin | 1 |
| 20117004 | 10.1016/j.bmc.2010.01.011 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20117004 | 10.1016/j.bmc.2010.01.011 | Tyrosine-protein kinase ABL1 | 1 |
| 20117004 | 10.1016/j.bmc.2010.01.011 | ALK tyrosine kinase receptor | 1 |
| 20117004 | 10.1016/j.bmc.2010.01.011 | Proto-oncogene tyrosine-protein kinase receptor Ret | 1 |
| 20185316 | 10.1016/j.bmc.2010.01.068 | Plasmodium falciparum | 1 |
Data from ChEMBL 36 via Core Engine