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Compound Detail

CHEMBL595851

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COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(=O)OC2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL595851
Phase Preclinical
Structure Type MOL
InChI Key BQTJPJZRTBATNV-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.09
ALogP
6
HBA
0
HBD
86.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14O6S
MW 358.37
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20004572 10.1016/j.bmcl.2009.11.067 RAW264.7 2

Data from ChEMBL 36 via Core Engine