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Compound Detail

CHEMBL3288111

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COCn1c(CC(COCc2ccccc2)COCc2ccccc2)cc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288111
Phase Preclinical
Structure Type MOL
InChI Key XKUYWJKVIZFJDO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
2.73
ALogP
6
HBA
1
HBD
82.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H28N2O5
MW 424.50
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.38

Literature References

PubMed DOI Target Context # Activities
24835982 10.1016/j.bmcl.2014.04.079 MCF7 1
24835982 10.1016/j.bmcl.2014.04.079 SW-620 1
24835982 10.1016/j.bmcl.2014.04.079 NON-PROTEIN TARGET 1
24835982 10.1016/j.bmcl.2014.04.079 HepG2 1
24835982 10.1016/j.bmcl.2014.04.079 HeLa 1
24835982 10.1016/j.bmcl.2014.04.079 MCR 1

Data from ChEMBL 36 via Core Engine