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Compound Detail

CHEMBL3397921

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

Basic Information

ChEMBL ID CHEMBL3397921
Phase Preclinical
Structure Type MOL
InChI Key OGWPRKUOQBPDCM-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

470.9
MW (Da)
5.01
ALogP
6
HBA
3
HBD
91.3
PSA (Ų)
0.38
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN2O5
MW 470.95
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.69

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