Compound Detail
CHEMBL1076721
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Basic Information
| ChEMBL ID | CHEMBL1076721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJGDAJQBJGDGGV-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
1.39
ALogP
6
HBA
2
HBD
88.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 7.21 | 7.21 | 62.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 6.89 | 6.89 | 130.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.47 | 5.47 | 3400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 2.0 | nM | 8.7 | Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/... | 20138514 |
| Cyclin-dependent kinase 2 | Ki | = | 62.0 | nM | 7.21 | Inhibition of CDK2 | 20138514 |
| Receptor-type tyrosine-protein kinase FLT3 | Ki | = | 130.0 | nM | 6.89 | Inhibition of FLT3 | 20138514 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Ki | = | 1000.0 | nM | 6.0 | Inhibition of PI3Kgamma | 20138514 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 1500.0 | nM | 5.82 | Inhibition of IRAK4 | 20138514 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 3400.0 | nM | 5.47 | Inhibition of KDR | 20138514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Unchecked | 14 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Glycogen synthase kinase-3 beta | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Cyclin-dependent kinase 2 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Interleukin-1 receptor-associated kinase 4 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Tyrosine-protein kinase JAK2 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Mitogen-activated protein kinase 10 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Vascular endothelial growth factor receptor 2 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Hepatocyte growth factor receptor | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Serine/threonine-protein kinase PLK1 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Rho-associated protein kinase 1 | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 20138514 | 10.1016/j.bmcl.2010.01.072 | Tyrosine-protein kinase SYK | 1 |
Data from ChEMBL 36 via Core Engine