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Compound Detail

CHEMBL377335

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NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2

Basic Information

ChEMBL ID CHEMBL377335
Phase Preclinical
Structure Type MOL
InChI Key USYKIEGGIMZVLK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.8
MW (Da)
3.63
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN2O2S
MW 334.83
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -2.32

Activity Summary

IC50 2 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.2 6.2 630.0 1
MV4-11
CHEMBL613835
IC50 5.66 5.66 2200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 630.0 nM 6.2 Inhibition of FLT3 16580199
MV4-11 IC50 = 2200.0 nM 5.66 Antiproliferative activity against human MV4-11 cells 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

Data from ChEMBL 36 via Core Engine