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Compound Detail

CHEMBL3262721

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Cc1cc(OCc2ccccc2Br)c2c(c1)C(=O)c1cccc(OCc3ccccc3Br)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262721
Phase Preclinical
Structure Type MOL
InChI Key PDMVCMZQRBGRIF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

592.3
MW (Da)
7.45
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H20Br2O4
MW 592.28
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness 0.03

Literature References

PubMed DOI Target Context # Activities
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 1 2
24763362 10.1016/j.ejmech.2014.04.033 Prostaglandin G/H synthase 2 2
24763362 10.1016/j.ejmech.2014.04.033 Unchecked 1

Data from ChEMBL 36 via Core Engine