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Compound Detail

CHEMBL3397938

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O=C(Nc1ccc(OCCCN2CCOCC2)c(F)c1)c1cccc(-c2cccc(O)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397938
Phase Preclinical
Structure Type MOL
InChI Key ZIUINPYDUTXJNX-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.55
ALogP
5
HBA
2
HBD
71.0
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 C26H27FN2O4
MW 450.51
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.49

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