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Compound Detail

CHEMBL1208632

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O=S(=O)(O)Oc1ccc(/C=C/c2cc(O)cc(OS(=O)(=O)O)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1208632
Phase Preclinical
Structure Type MOL
InChI Key DHYDAGFKCXRMSL-OWOJBTEDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
1.93
ALogP
7
HBA
3
HBD
147.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C14H12O9S2
MW 388.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.63

Literature References

PubMed DOI Target Context # Activities
35621995 10.1021/acs.jnatprod.1c01107 Enterococcus faecalis 5
29407944 10.1016/j.ejmech.2018.01.037 Danio rerio 3
35621995 10.1021/acs.jnatprod.1c01107 Staphylococcus aureus 3
35621995 10.1021/acs.jnatprod.1c01107 Bacillus cereus 2
35621995 10.1021/acs.jnatprod.1c01107 Clostridium beijerinckii 1
35621995 10.1021/acs.jnatprod.1c01107 Clostridium botulinum 1
35621995 10.1021/acs.jnatprod.1c01107 Clostridioides difficile 1
35621995 10.1021/acs.jnatprod.1c01107 Unchecked 1
35621995 10.1021/acs.jnatprod.1c01107 Clostridium perfringens 1
35621995 10.1021/acs.jnatprod.1c01107 Clostridium tetani 1
35621995 10.1021/acs.jnatprod.1c01107 Escherichia coli 1

Data from ChEMBL 36 via Core Engine