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Compound Detail

CHEMBL4859180

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CS(=O)(=O)c1ccc(-c2ccc3ncc(-c4ccc(-c5cccc(Cl)c5)s4)n3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4859180
Phase Preclinical
Structure Type MOL
InChI Key ISFGPQBYGRIPKJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

465.0
MW (Da)
6.45
ALogP
5
HBA
0
HBD
51.4
PSA (Ų)
0.31
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 C24H17ClN2O2S2
MW 465.00
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 5.68 5.68 2080.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 2080.0 nM 5.68 Inhibition of FLT3 (unknown origin) using 5' FAM-EPLYWSFPA peptide as a substrat... 34479037

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