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Compound Detail

CHEMBL2403523

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CC(C)=C1OC(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2403523
Phase Preclinical
Structure Type MOL
InChI Key GXBVWEOSOVQLFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
3.99
ALogP
4
HBA
0
HBD
60.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17FO4S
MW 372.42
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.40

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 DU-145 1

Data from ChEMBL 36 via Core Engine