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Compound Detail

CHEMBL4860913

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Cn1cc(-c2ccn3c(-c4ccc(-c5cccc(C(F)(F)F)c5)s4)cnc3c2)cn1

Basic Information

ChEMBL ID CHEMBL4860913
Phase Preclinical
Structure Type MOL
InChI Key PEBCKPZEQJZPFB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.4
MW (Da)
6.15
ALogP
5
HBA
0
HBD
35.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15F3N4S
MW 424.45
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.72

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34479037 10.1016/j.ejmech.2021.113776 Receptor-type tyrosine-protein kinase FLT3 1
34479037 10.1016/j.ejmech.2021.113776 Serine/threonine-protein kinase Nek2 1

Data from ChEMBL 36 via Core Engine