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Compound Detail

CHEMBL1808305

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CCOc1cccc(-c2nc3ccccc3s2)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808305
Phase Preclinical
Structure Type MOL
InChI Key YFJHVNDZXAIOTQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
4.07
ALogP
4
HBA
1
HBD
42.4
PSA (Ų)
0.78
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 C15H13NO2S
MW 271.34
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
21684753 10.1016/j.bmc.2011.05.052 Unchecked 2
21684753 10.1016/j.bmc.2011.05.052 Beta-glucuronidase 1

Data from ChEMBL 36 via Core Engine