Compound Detail
CHEMBL5564780
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CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cn(CCCCC4CN(CCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)N=N4)c4ncnc(N)c34)cc2)no1
Basic Information
| ChEMBL ID | CHEMBL5564780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVPQPNLLAWYWCR-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
858.0
MW (Da)
6.40
ALogP
14
HBA
5
HBD
247.4
PSA (Ų)
0.06
QED
3
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MOLM-13 CHEMBL3706572 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL2034796 | IC50 | 8.11 | 7.3233 | 7.8 | 3 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 5.9 | 5.9 | 1259.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MOLM-13 | IC50 | = | 4.01 | nM | 8.4 | Inhibition of cell growth in human MOLM-13 cells | 38281455 |
| MV4-11 | IC50 | = | 4.83 | nM | 8.32 | Inhibition of cell growth in human MV4-11 cells | 38281455 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 7.85 | nM | 8.11 | Inhibition of FLT3 ITD mutant in mouse BaF3 cells | 38281455 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of FLT3 (unknown origin) | 38281455 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 116.0 | nM | 6.94 | Inhibition of FLT3 ITD/F691L mutant in mouse BaF3 cells | 38281455 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 121.0 | nM | 6.92 | Inhibition of FLT3 ITD/D835V mutant in mouse BaF3 cells | 38281455 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 1259.0 | nM | 5.9 | Inhibition of c-Kit (unknown origin) | 38281455 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38281455 | 10.1016/j.ejmech.2024.116166 | Receptor-type tyrosine-protein kinase FLT3 | 4 |
| 38281455 | 10.1016/j.ejmech.2024.116166 | BaF3 | 1 |
| 38281455 | 10.1016/j.ejmech.2024.116166 | Mast/stem cell growth factor receptor Kit | 1 |
| 38281455 | 10.1016/j.ejmech.2024.116166 | MV4-11 | 1 |
| 38281455 | 10.1016/j.ejmech.2024.116166 | MOLM-13 | 1 |
| 38281455 | 10.1016/j.ejmech.2024.116166 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine