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Compound Detail

CHEMBL3357178

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C/C=C/C(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C

Basic Information

ChEMBL ID CHEMBL3357178
Phase Preclinical
Structure Type MOL
InChI Key RWUPAXMLORGXTQ-NSLJXJERSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
2.76
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34N2O6
MW 446.54
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness -0.39

Activity Summary

IC50 2 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 4.98 4.885 10520.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25456387 10.1016/j.bmc.2014.10.006 Receptor-type tyrosine-protein kinase FLT3 3
25456387 10.1016/j.bmc.2014.10.006 MAP kinase-interacting serine/threonine-protein kinase 1 1
25456387 10.1016/j.bmc.2014.10.006 MAP kinase-interacting serine/threonine-protein kinase 2 1
25456387 10.1016/j.bmc.2014.10.006 MV4-11 1

Data from ChEMBL 36 via Core Engine