Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL377567

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)c1ccc(/C=C/C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1

Basic Information

ChEMBL ID CHEMBL377567
Phase Preclinical
Structure Type MOL
InChI Key OXRQJASUBSIORM-FMIVXFBMSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.50
ALogP
3
HBA
2
HBD
72.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N2O2S
MW 368.50
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.38

Activity Summary

IC50 2 meas. best 6.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.31 6.31 490.0 1
MV4-11
CHEMBL613835
IC50 5.57 5.57 2700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 490.0 nM 6.31 Inhibition of FLT3 16580199
MV4-11 IC50 = 2700.0 nM 5.57 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