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Compound Detail

CHEMBL2403521

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COc1ccc(/C=C2\OC(=O)C(c3ccc(F)cc3)=C2c2ccc(S(C)(=O)=O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403521
Phase Preclinical
Structure Type MOL
InChI Key LFZKLDMXRFTMCT-JCMHNJIXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

450.5
MW (Da)
4.75
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19FO5S
MW 450.49
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
23735281 10.1016/j.ejmech.2013.04.062 PC-3 3
23735281 10.1016/j.ejmech.2013.04.062 Prostaglandin G/H synthase 1 1
23735281 10.1016/j.ejmech.2013.04.062 Prostaglandin G/H synthase 2 1
23735281 10.1016/j.ejmech.2013.04.062 DU-145 1

Data from ChEMBL 36 via Core Engine