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Compound Detail

CHEMBL2011211

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O=C(O)CCN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011211
Phase Preclinical
Structure Type MOL
InChI Key ZVKXIPSGDRSVSV-YHYXMXQVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
1.77
ALogP
6
HBA
3
HBD
98.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11NO5S2
MW 325.37
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.05

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