Compound Detail
CHEMBL2177142
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Basic Information
| ChEMBL ID | CHEMBL2177142 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJIWTVPITVCQSQ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
2.16
ALogP
6
HBA
2
HBD
102.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 7.64 | 6.935 | 23.0 | 2 |
| Glycogen synthase kinase-3 beta CHEMBL262 | IC50 | 7.4 | 7.35 | 40.0 | 2 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.2 | 5.2 | 6268.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor receptor 2 | IC50 | = | 23.0 | nM | 7.64 | Kinase Inhibition Assay: The effect of test compounds on the activity of the pro... | - |
| Glycogen synthase kinase-3 beta | IC50 | = | 40.0 | nM | 7.4 | Inhibition of GSK3beta | 23088521 |
| Glycogen synthase kinase-3 beta | IC50 | = | 50.0 | nM | 7.3 | Kinase Inhibition Assay: The effect of test compounds on the activity of the pro... | - |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 590.0 | nM | 6.23 | Inhibition of VEGFR2 | 23088521 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 6268.0 | nM | 5.2 | Kinase Inhibition Assay: The effect of test compounds on the activity of the pro... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23088521 | 10.1021/jm301217c | MKN-45 | 11 |
| 23088521 | 10.1021/jm301217c | HT-29 | 4 |
| 23088521 | 10.1021/jm301217c | HUVEC | 2 |
| 23088521 | 10.1021/jm301217c | Glycogen synthase kinase-3 beta | 1 |
| 23088521 | 10.1021/jm301217c | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 23088521 | 10.1021/jm301217c | Vascular endothelial growth factor receptor 2 | 1 |
| 23088521 | 10.1021/jm301217c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine