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Compound Detail

CHEMBL2011212

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COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011212
Phase Preclinical
Structure Type MOL
InChI Key UGEFQNHZZUPLRB-YFHOEESVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

339.4
MW (Da)
2.08
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H13NO5S2
MW 339.39
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.35

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22444877 10.1016/j.bmc.2012.02.052 Unchecked 2
22444877 10.1016/j.bmc.2012.02.052 No relevant target 1
22444877 10.1016/j.bmc.2012.02.052 Staphylococcus aureus 1
22444877 10.1016/j.bmc.2012.02.052 Enterococcus faecalis 1
22444877 10.1016/j.bmc.2012.02.052 Haemophilus influenzae 1

Data from ChEMBL 36 via Core Engine