Compound Detail
CHEMBL5435746
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Basic Information
| ChEMBL ID | CHEMBL5435746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXJHRAJQRBFYSF-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.5
MW (Da)
2.93
ALogP
8
HBA
4
HBD
120.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.11 | 8.11 | 7.8 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
| Cyclin-dependent kinase 6 CHEMBL2508 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.84 | nM | 8.11 | Inhibition of human FLT3 using EAIYAAPFAKKK and [gamma-33P]-ATP as substrate pre... | 37163951 |
| MV4-11 | IC50 | = | 110.0 | nM | 6.96 | Antiproliferative activity against human MV4-11 cells harboring FLT3 ITD mutant ... | 37163951 |
| Cyclin-dependent kinase 2 | IC50 | = | 135.01 | nM | 6.87 | Inhibition of human CDK2 pretreated for 20 mins followed by [gamma-33P]-ATP addi... | 37163951 |
| Cyclin-dependent kinase 6 | IC50 | = | 158.01 | nM | 6.8 | Inhibition of human CDK6 pretreated for 20 mins followed by [gamma-33P]-ATP addi... | 37163951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37163951 | 10.1016/j.ejmech.2023.115448 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37163951 | 10.1016/j.ejmech.2023.115448 | Cyclin-dependent kinase 2 | 1 |
| 37163951 | 10.1016/j.ejmech.2023.115448 | Cyclin-dependent kinase 6 | 1 |
| 37163951 | 10.1016/j.ejmech.2023.115448 | MV4-11 | 1 |
Data from ChEMBL 36 via Core Engine