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Compound Detail

CHEMBL122807

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COc1cc(/C=C\c2ccsc2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL122807
Phase Preclinical
Structure Type MOL
InChI Key KUGWSSNPSKWWFO-ARJAWSKDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
3.94
ALogP
3
HBA
0
HBD
18.5
PSA (Ų)
0.81
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 C14H14O2S
MW 246.33
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.91

Literature References

PubMed DOI Target Context # Activities
14552759 10.1016/j.bmcl.2003.08.013 RAW264.7 1

Data from ChEMBL 36 via Core Engine