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Compound Detail

CHEMBL4475895

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Cn1nc(C(F)(F)F)cc1NC(=O)Nc1ccc(Oc2ncnc3[nH]ncc23)c(F)c1

Basic Information

ChEMBL ID CHEMBL4475895
Phase Preclinical
Structure Type MOL
InChI Key COWSMIMAJBATIH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.3
MW (Da)
3.68
ALogP
7
HBA
3
HBD
122.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H12F4N8O2
MW 436.33
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -2.41

Activity Summary

IC50 1 meas. best 7.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.44 7.44 36.0 1

Activity Data Samples

Top measurements by pChEMBL value

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