Compound Detail
CHEMBL1080902
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Basic Information
| ChEMBL ID | CHEMBL1080902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HGOPLFLDDUEUQT-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
324.3
MW (Da)
2.01
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 7.18 | 7.18 | 66.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 7.02 | 7.02 | 95.0 | 1 |
| Tyrosine-protein kinase SYK CHEMBL2599 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| Interleukin-1 receptor-associated kinase 4 CHEMBL3778 | Ki | 6.16 | 6.16 | 690.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glycogen synthase kinase-3 beta | Ki | = | 0.8 | nM | 9.1 | Inhibition of GSK3-beta assessed as NADH level after 10 mins by pyruvate kinase/... | 20138514 |
| Receptor-type tyrosine-protein kinase FLT3 | Ki | = | 66.0 | nM | 7.18 | Inhibition of FLT3 | 20138514 |
| Cyclin-dependent kinase 2 | Ki | = | 95.0 | nM | 7.02 | Inhibition of CDK2 | 20138514 |
| Interleukin-1 receptor-associated kinase 4 | Ki | = | 690.0 | nM | 6.16 | Inhibition of IRAK4 | 20138514 |
| Tyrosine-protein kinase SYK | Ki | = | 690.0 | nM | 6.16 | Inhibition of SYK | 20138514 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | Ki | = | 1300.0 | nM | 5.89 | Inhibition of PI3Kgamma | 20138514 |
| Vascular endothelial growth factor receptor 2 | Ki | = | 1800.0 | nM | 5.75 | 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