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Compound Detail

CHEMBL3262713

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CC(=O)c1c(C)cc2cccc(O)c2c1OCc1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3262713
Phase Preclinical
Structure Type MOL
InChI Key XCTMDCRLALPDFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.8
MW (Da)
5.29
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17ClO3
MW 340.81
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.02

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