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Compound Detail

CHEMBL4878572

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CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5cccnc5)s4)cnc3c2)cc1

Basic Information

ChEMBL ID CHEMBL4878572
Phase Preclinical
Structure Type MOL
InChI Key YAHDNGVWTGJEGV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.20
ALogP
6
HBA
0
HBD
64.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H17N3O2S2
MW 431.54
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -1.28

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34479037 10.1016/j.ejmech.2021.113776 MOLM-14 27
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
34479037 10.1016/j.ejmech.2021.113776 BaF3 1

Data from ChEMBL 36 via Core Engine