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Compound Detail

CHEMBL270069

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Nc1noc2cccc(-c3ccc(NC(=O)/C=C/c4cccc(C(F)(F)F)c4)cc3)c12

Basic Information

ChEMBL ID CHEMBL270069
Phase Preclinical
Structure Type MOL
InChI Key PYKWUFWGJLDSGF-KPKJPENVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

423.4
MW (Da)
5.75
ALogP
4
HBA
2
HBD
81.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16F3N3O2
MW 423.39
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 1400.0 nM 5.85 Inhibition of FLT3 by HTRF assay 18260617

Literature References

PubMed DOI Target Context # Activities
18260617 10.1021/jm701096v Vascular endothelial growth factor receptor 2 1
18260617 10.1021/jm701096v Mast/stem cell growth factor receptor Kit 1
18260617 10.1021/jm701096v Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine