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Compound Detail

CHEMBL4460440

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O=C(Nc1ccc(Oc2ncnc3[nH]ncc23)cc1)Nc1cc(C(F)(F)F)on1

Basic Information

ChEMBL ID CHEMBL4460440
Phase Preclinical
Structure Type MOL
InChI Key UGVCKGNYUMOIGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

405.3
MW (Da)
3.80
ALogP
7
HBA
3
HBD
130.8
PSA (Ų)
0.47
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 C16H10F3N7O3
MW 405.30
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -2.10

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 7.55 7.55 28.0 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