Compound Detail
CHEMBL5632051
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Basic Information
| ChEMBL ID | CHEMBL5632051 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LZWYVPYCUCSHHI-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.19
ALogP
6
HBA
2
HBD
97.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 8.0 | 8.0 | 9.9 | 1 |
| K562 CHEMBL385 | IC50 | 7.52 | 7.52 | 30.2 | 1 |
| HCT-116 CHEMBL394 | IC50 | 7.42 | 7.42 | 37.5 | 1 |
| THP-1 CHEMBL614245 | IC50 | 7.17 | 7.17 | 68.2 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 7.13 | 7.13 | 73.3 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 9.9 | nM | 8.0 | Inhibition of human FLT3 using MBP as substrate in presence of ATP by microplate... | 37544183 |
| K562 | IC50 | = | 30.19 | nM | 7.52 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 37544183 |
| HCT-116 | IC50 | = | 37.55 | nM | 7.42 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 37544183 |
| THP-1 | IC50 | = | 68.17 | nM | 7.17 | Antiproliferative activity against human THP-1 cells transfected with wild type ... | 37544183 |
| MV4-11 | IC50 | = | 73.33 | nM | 7.13 | Antiproliferative activity against human MV4-11 cells assessed as inhibition of ... | 37544183 |
| MV4-11 | IC50 | = | 73.33 | nM | 7.13 | Antiproliferative activity against human MV4-11 cells transfected with FLT3-ITD ... | 37544183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37544183 | 10.1016/j.ejmech.2023.115687 | MV4-11 | 2 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | Unchecked | 2 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | K562 | 1 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | HCT-116 | 1 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | THP-1 | 1 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 37544183 | 10.1016/j.ejmech.2023.115687 | Tyrosine-protein kinase ABL1 | 1 |
Data from ChEMBL 36 via Core Engine