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Compound Detail

CHEMBL465466

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CCOC(=O)CCc1c(/C=C/c2ccc(OC)c(OC)c2)noc1/C=C/c1ccc(OC)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL465466
Phase Preclinical
Structure Type MOL
InChI Key UJHGHIAYQUZVLA-INOXDZRUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

493.6
MW (Da)
5.55
ALogP
8
HBA
0
HBD
89.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31NO7
MW 493.56
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -0.18

Literature References

PubMed DOI Target Context # Activities
19019687 10.1016/j.bmc.2008.10.057 MCF7 1
19019687 10.1016/j.bmc.2008.10.057 SK-BR-3 1

Data from ChEMBL 36 via Core Engine