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Compound Detail

CHEMBL3357196

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COc1cc(O)c(C(=O)OC(C)C)c(/C=C/CNC(C)=O)c1

Basic Information

ChEMBL ID CHEMBL3357196
Phase Preclinical
Structure Type MOL
InChI Key WEKXUBCMPGGWRF-AATRIKPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
2.12
ALogP
5
HBA
2
HBD
84.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21NO5
MW 307.35
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness 0.22

Activity Summary

IC50 1 meas. best 4.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 4.85 4.85 14150.0 1

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 MV4-11 1

Data from ChEMBL 36 via Core Engine