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Compound Detail

CHEMBL3397919

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COc1ccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)c(-c2cccc(O)c2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397919
Phase Preclinical
Structure Type MOL
InChI Key GZAUMZVISFSPDU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
4.11
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FN2O5
MW 440.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.83

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
25637123 10.1016/j.bmc.2015.01.006 MCF7 1
25637123 10.1016/j.bmc.2015.01.006 NON-PROTEIN TARGET 1
25637123 10.1016/j.bmc.2015.01.006 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine