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Compound Detail

CHEMBL1950190

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COc1ccc(CS/C=C/C[S+]([O-])Cc2ccc(OC)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1950190
Phase Preclinical
Structure Type MOL
InChI Key UWKWFEJGMAIOMN-KGVSQERTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
4.40
ALogP
4
HBA
0
HBD
41.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22O3S2
MW 362.52
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
22381354 10.1016/j.ejmech.2012.01.058 Unchecked 3
22381354 10.1016/j.ejmech.2012.01.058 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine