Compound Detail
CHEMBL4171138
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Basic Information
| ChEMBL ID | CHEMBL4171138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYUAZFYQXCJXEM-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
4.67
ALogP
8
HBA
3
HBD
108.1
PSA (Ų)
0.34
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.18 | 9.18 | 0.7 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.59 | 7.59 | 25.4 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 7.48 | 7.48 | 33.2 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.32 | 7.32 | 48.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.66 | nM | 9.18 | Inhibition of human FLT3 by Hotspot assay | 29894944 |
| Cyclin-dependent kinase 2 | IC50 | = | 25.4 | nM | 7.59 | Inhibition of CDK2 (unknown origin) by Hotspot assay | 29894944 |
| Cyclin-dependent kinase 6 | IC50 | = | 33.21 | nM | 7.48 | Inhibition of CDK6 (unknown origin) by Hotspot assay | 29894944 |
| MV4-11 | IC50 | = | 48.0 | nM | 7.32 | Growth inhibition of human MV4-11 cells harboring FLT3-ITD after 72 hrs by Cell-... | 29894944 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29894944 | 10.1016/j.ejmech.2018.06.010 | Cyclin-dependent kinase 2 | 2 |
| 29894944 | 10.1016/j.ejmech.2018.06.010 | Cyclin-dependent kinase 6 | 2 |
| 29894944 | 10.1016/j.ejmech.2018.06.010 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 29894944 | 10.1016/j.ejmech.2018.06.010 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine