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Compound Detail

CHEMBL210907

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NC(=O)c1c(NC(=O)c2ccccn2)sc2c1CCCC2

Basic Information

ChEMBL ID CHEMBL210907
Phase Preclinical
Structure Type MOL
InChI Key AKMRWSWTDWCNGG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
2.37
ALogP
4
HBA
2
HBD
85.1
PSA (Ų)
0.91
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 C15H15N3O2S
MW 301.37
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.38

Activity Summary

IC50 2 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MV4-11
CHEMBL613835
IC50 6.46 6.46 350.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.19 6.19 640.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MV4-11 IC50 = 350.0 nM 6.46 Antiproliferative activity against human MV4-11 cells 16580199
Receptor-type tyrosine-protein kinase FLT3 IC50 = 640.0 nM 6.19 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

Data from ChEMBL 36 via Core Engine