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Compound Detail

CHEMBL5207101

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Cl.O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\OCS(=O)(=O)N1CCNCC1

Basic Information

ChEMBL ID CHEMBL5207101
Phase Preclinical
Structure Type MOL
InChI Key RJFPIZVFKSJHPB-NHLUDNGBSA-N
Parent Compound CHEMBL5222819
Active Moiety CHEMBL5222819
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
1.39
ALogP
7
HBA
3
HBD
112.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN5O4S
MW 475.96
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 8.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 8.42 8.42 3.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35489222 10.1016/j.ejmech.2022.114356 Receptor-type tyrosine-protein kinase FLT3 1

Data from ChEMBL 36 via Core Engine