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Compound Detail

CHEMBL1406848

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O=C(O)c1csc(-c2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1406848
Phase Preclinical
Structure Type MOL
InChI Key IBUSLNJQKLZPNR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

205.2
MW (Da)
2.51
ALogP
3
HBA
1
HBD
50.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H7NO2S
MW 205.24
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase 1
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase II 1
30107365 10.1016/j.ejmech.2018.08.004 Tartrate-resistant acid phosphatase type 5 1
30630716 10.1016/j.bmcl.2019.01.005 Xanthine dehydrogenase/oxidase 1

Data from ChEMBL 36 via Core Engine