Compound Detail
CHEMBL1271692
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Basic Information
| ChEMBL ID | CHEMBL1271692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKRNOOYNVBLPMN-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
332.3
MW (Da)
1.42
ALogP
6
HBA
3
HBD
131.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| MAP kinase-interacting serine/threonine-protein kinase 1 CHEMBL4718 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| AMP-activated protein kinase, AMPK CHEMBL2096907 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Ephrin type-A receptor 2 CHEMBL2068 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.09 | 5.09 | 8200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of FLT3 by Hot Spot filtration binding assay | 20932747 |
| MAP kinase-interacting serine/threonine-protein kinase 1 | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of MNK1 by Hot Spot filtration binding assay | 20932747 |
| AMP-activated protein kinase, AMPK | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human AMPK alpha-2/beta-1/gamma-1 by Hot Spot filtration binding a... | 20932747 |
| Ephrin type-A receptor 2 | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of EphA2 by Hot Spot filtration binding assay | 20932747 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 8200.0 | nM | 5.09 | Inhibition of c-SRC by Hot Spot filtration binding assay | 20932747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20932747 | 10.1016/j.bmcl.2010.09.088 | AMP-activated protein kinase, AMPK | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Ephrin type-A receptor 2 | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Vascular endothelial growth factor receptor 1 | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Vascular endothelial growth factor receptor 2 | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Tyrosine-protein kinase Lck | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | MAP kinase-interacting serine/threonine-protein kinase 1 | 1 |
| 20932747 | 10.1016/j.bmcl.2010.09.088 | Ribosomal protein S6 kinase alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine