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Compound Detail

CHEMBL378651

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NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2

Basic Information

ChEMBL ID CHEMBL378651
Phase Preclinical
Structure Type MOL
InChI Key MUPKQHJSQBTFOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
2.91
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N2O2S
MW 314.41
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 3200.0 nM 5.5 Inhibition of FLT3 16580199

Literature References

PubMed DOI Target Context # Activities
16580199 10.1016/j.bmcl.2006.03.032 Receptor-type tyrosine-protein kinase FLT3 1
16580199 10.1016/j.bmcl.2006.03.032 MV4-11 1
22030030 10.1016/j.bmcl.2011.09.109 Unchecked 1

Data from ChEMBL 36 via Core Engine