Compound Detail
CHEMBL5408027
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Basic Information
| ChEMBL ID | CHEMBL5408027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKCIEJKJISHFRA-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
430.5
MW (Da)
2.32
ALogP
7
HBA
3
HBD
113.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MV4-11 CHEMBL613835 | IC50 | 8.5 | 8.5 | 3.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.72 | 7.625 | 19.1 | 2 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.49 | 7.49 | 32.5 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 4.91 | 4.91 | 12269.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 3.15 | nM | 8.5 | Antiproliferative activity against human MV4-11 cells expressing FLT3 ITD/TKD mu... | 38389894 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 19.1 | nM | 7.72 | Inhibition of wildtype FLT3 (unknown origin) using peptide substrate incubated f... | 38389894 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 29.83 | nM | 7.53 | Inhibition of FLT3 D835Y mutant (unknown origin) using peptide substrate incubat... | 38389894 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 32.53 | nM | 7.49 | Inhibition of CHK1 (unknown origin) using peptide substrate incubated for 1 hrs ... | 38389894 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 12269.0 | nM | 4.91 | Inhibition of c-kit (unknown origin) using peptide substrate incubated for 1 hrs... | 38389894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38389894 | 10.1039/d3md00597f | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 38389894 | 10.1039/d3md00597f | Serine/threonine-protein kinase Chk1 | 1 |
| 38389894 | 10.1039/d3md00597f | MV4-11 | 1 |
| 38389894 | 10.1039/d3md00597f | Mast/stem cell growth factor receptor Kit | 1 |
| 38389894 | 10.1039/d3md00597f | Unchecked | 1 |
| 38389894 | 10.1039/d3md00597f | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine