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Compound Detail

CHEMBL1808313

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CCOc1ccc(-c2nc3ccccc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1808313
Phase Preclinical
Structure Type MOL
InChI Key NAUXHTYTQIQZJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

255.3
MW (Da)
4.36
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.69
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 C15H13NOS
MW 255.34
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
21684753 10.1016/j.bmc.2011.05.052 Unchecked 2
22047695 10.1016/j.bmcl.2011.10.034 Staphylococcus aureus 2
22047695 10.1016/j.bmcl.2011.10.034 Bacillus cereus 2
21684753 10.1016/j.bmc.2011.05.052 Beta-glucuronidase 1
22047695 10.1016/j.bmcl.2011.10.034 Shigella dysenteriae 1
22047695 10.1016/j.bmcl.2011.10.034 Vibrio cholerae 1
22047695 10.1016/j.bmcl.2011.10.034 Escherichia coli 1

Data from ChEMBL 36 via Core Engine