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Compound Detail

CHEMBL2403613

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CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)C(=O)O/C2=C\c2ccc(Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403613
Phase Preclinical
Structure Type MOL
InChI Key LKRKKAGTUDKVEF-STZFKDTASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

454.9
MW (Da)
5.39
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.50
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 C24H16ClFO4S
MW 454.91
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.62

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