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Compound Detail

CHEMBL489703

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Cc1cccc(C)c1/C=C/S(=O)(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL489703
Phase Preclinical
Structure Type MOL
InChI Key UDNISBFLONWFHY-VAWYXSNFSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
3.75
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.85
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 C16H16O2S
MW 272.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.48

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19191586 10.1021/jm8008103 Plasmodium falciparum 3
19191586 10.1021/jm8008103 ADMET 2
19191586 10.1021/jm8008103 Unchecked 1

Data from ChEMBL 36 via Core Engine