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Compound Detail

CHEMBL1241313

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COc1cc(/C=C/c2ccc(S)cc2)cc(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1241313
Phase Preclinical
Structure Type MOL
InChI Key WVVOKPXYRUBUQN-ONEGZZNKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
4.16
ALogP
3
HBA
1
HBD
18.5
PSA (Ų)
0.67
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 C16H16O2S
MW 272.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.03

Literature References

PubMed DOI Target Context # Activities
20627379 10.1016/j.ejmech.2010.05.019 HT-29 1
20627379 10.1016/j.ejmech.2010.05.019 Caco-2 1

Data from ChEMBL 36 via Core Engine