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Compound Detail

CHEMBL4846528

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Cn1cc(-c2ccc(-c3cnc4ccccn34)s2)cn1

Basic Information

ChEMBL ID CHEMBL4846528
Phase Preclinical
Structure Type MOL
InChI Key HJZHHMNPHFQCOC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.4
MW (Da)
3.46
ALogP
5
HBA
0
HBD
35.1
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N4S
MW 280.36
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -2.16

Activity Summary

IC50 1 meas. best 5.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.47 5.47 3350.0 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