Compound Detail
CHEMBL4523041
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CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ncnc4[nH]ncc34)cc2)n(-c2ccccc2)n1
Basic Information
| ChEMBL ID | CHEMBL4523041 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROQWJDWCLPHZCC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.5
MW (Da)
5.27
ALogP
7
HBA
3
HBD
122.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of recombinant human N-terminal GST-tagged FLT3 (564 to end residues)... | 27535613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27535613 | 10.1021/acs.jmedchem.6b00604 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
Data from ChEMBL 36 via Core Engine