Compound Detail
CHEMBL5440655
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Basic Information
| ChEMBL ID | CHEMBL5440655 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DSWGFGIRFVKDCY-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
436.5
MW (Da)
4.62
ALogP
4
HBA
3
HBD
99.3
PSA (Ų)
0.38
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.62
Kd 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 10.62 | 10.27 | 0.0 | 2 |
| Serine/threonine-protein kinase haspin CHEMBL1075163 | Kd | 9.26 | 9.26 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.024 | nM | 10.62 | Inhibition of FLT3 D835Y mutant (unknown origin) | 37731695 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.121 | nM | 9.92 | Inhibition of FLT3 ITD mutant (unknown origin) | 37731695 |
| Serine/threonine-protein kinase haspin | Kd | = | 0.55 | nM | 9.26 | Inhibition of haspin (unknown origin) assessed as dissociation constant | 37731695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37731695 | 10.1039/d3md00192j | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| 37731695 | 10.1039/d3md00192j | MOLM-14 | 4 |
| 37731695 | 10.1039/d3md00192j | Serine/threonine-protein kinase haspin | 3 |
| 37731695 | 10.1039/d3md00192j | MV4-11 | 2 |
| 37731695 | 10.1039/d3md00192j | DNA | 1 |
Data from ChEMBL 36 via Core Engine