Compound Detail
CHEMBL508964
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Basic Information
| ChEMBL ID | CHEMBL508964 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQJXNILPLUCHQG-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.82
ALogP
2
HBA
2
HBD
57.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.46 | 6.42 | 350.0 | 2 |
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 5.11 | 5.11 | 7700.0 | 1 |
| B16 CHEMBL381 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 350.0 | nM | 6.46 | Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 re... | 26995531 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 417.0 | nM | 6.38 | Inhibition of human N-terminal GST-tagged FLT3 cytoplasmic domain (564 to 993 re... | 26995531 |
| Cyclin-dependent kinase 2 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of CDK2/Cyclin A by radiometric assay | 18656911 |
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of CDK2/cyclin A (unknown origin) by radiometric filter binding assay | 26115571 |
| MV4-11 | IC50 | = | 7700.0 | nM | 5.11 | Growth inhibition of human MV4-11 cells harboring FLT3-ITD after 48 hrs by CCK8 ... | 26995531 |
| B16 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of alpha-MSH-stimulated melanogenesis in mouse B16 cells assessed as ... | 31387790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Receptor-type tyrosine-protein kinase FLT3 | 3 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | MV4-11 | 1 |
| 31387790 | 10.1016/j.bmcl.2019.07.055 | B16 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Proto-oncogene tyrosine-protein kinase Src | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Protein-tyrosine kinase 2-beta | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Platelet-derived growth factor receptor alpha | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Hepatocyte growth factor receptor | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Tyrosine-protein kinase Lck | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Vascular endothelial growth factor receptor 2 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Tyrosine-protein kinase JAK3 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Tyrosine-protein kinase ITK/TSK | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Insulin-like growth factor 1 receptor | 1 |
| 18656911 | 10.1021/jm800382h | Cyclin-dependent kinase 2 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | ADMET | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Tyrosine-protein kinase ABL1 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Tyrosine-protein kinase CSK | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Epidermal growth factor receptor | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Ephrin type-A receptor 2 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Ephrin type-B receptor 4 | 1 |
| 26995531 | 10.1016/j.bmcl.2016.03.006 | Fibroblast growth factor receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine