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Compound Detail

CHEMBL3288114

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O=c1cc(CC(O)COCc2ccccc2)[nH]c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288114
Phase Preclinical
Structure Type MOL
InChI Key UMHNOHLQNVGKDL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
0.18
ALogP
4
HBA
3
HBD
95.2
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H16N2O4
MW 276.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.49

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