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Compound Detail

CHEMBL398340

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COc1cc(OC)c(/C=C/S(=O)(=O)Cc2cc(OC)c(OC)c(OC)c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL398340
Phase Preclinical
Structure Type MOL
InChI Key HVCSNRBEYZDBMD-BQYQJAHWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
3.32
ALogP
8
HBA
0
HBD
89.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26O8S
MW 438.50
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 0.11

Literature References

PubMed DOI Target Context # Activities
18088089 10.1021/jm701077b BT-20 1
18088089 10.1021/jm701077b DU-145 1
18088089 10.1021/jm701077b NON-PROTEIN TARGET 1
18088089 10.1021/jm701077b DLD-1 1

Data from ChEMBL 36 via Core Engine