Compound Detail
CHEMBL5284731
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Cc1ncc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1c(N)ncc2ccc(F)cc12
Basic Information
| ChEMBL ID | CHEMBL5284731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLTPJGABPAYONH-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
5.08
ALogP
6
HBA
2
HBD
87.4
PSA (Ų)
0.26
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 9.3 | 8.54 | 0.5 | 2 |
| MOLM-14 CHEMBL3706570 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 0.5 | nM | 9.3 | Antiproliferative activity against human MV4-11 cells assessed as cell growth in... | 32659083 |
| MOLM-14 | IC50 | = | 0.5 | nM | 9.3 | Antiproliferative activity against human MOLM-14 cells assessed as cell growth i... | 32659083 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 0.5 | nM | 9.3 | Inhibition of FLT3-ITD mutant phosphorylation in human MOLM-14 cell incubated fo... | 32659083 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 16.6 | nM | 7.78 | Inhibition of FLT3-D835Y mutant phosphorylation in human MOLM-14 cell incubated ... | 32659083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32659083 | 10.1021/acs.jmedchem.0c00696 | Receptor-type tyrosine-protein kinase FLT3 | 2 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | MV4-11 | 1 |
| 32659083 | 10.1021/acs.jmedchem.0c00696 | MOLM-14 | 1 |
Data from ChEMBL 36 via Core Engine