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Compound Detail

CHEMBL4060790

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COC(=O)[C@H](C)n1sc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060790
Phase Preclinical
Structure Type MOL
InChI Key OPEFISXEPIRQLM-ZETCQYMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

237.3
MW (Da)
1.80
ALogP
5
HBA
0
HBD
48.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H11NO3S
MW 237.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
28159413 10.1016/j.bmcl.2017.01.027 Staphylococcus aureus 6
28159413 10.1016/j.bmcl.2017.01.027 Escherichia coli 2
28159413 10.1016/j.bmcl.2017.01.027 Pseudomonas aeruginosa 2
28159413 10.1016/j.bmcl.2017.01.027 Klebsiella pneumoniae 2
28159413 10.1016/j.bmcl.2017.01.027 Candida albicans 2
28159413 10.1016/j.bmcl.2017.01.027 Cryptococcus neoformans 2
28159413 10.1016/j.bmcl.2017.01.027 Sporothrix schenckii 2
28159413 10.1016/j.bmcl.2017.01.027 Trichophyton mentagrophytes 2
28159413 10.1016/j.bmcl.2017.01.027 Aspergillus fumigatus 2
28159413 10.1016/j.bmcl.2017.01.027 Candida parapsilosis 2
28159413 10.1016/j.bmcl.2017.01.027 Plasmodium falciparum 1
28159413 10.1016/j.bmcl.2017.01.027 Vero C1008 1

Data from ChEMBL 36 via Core Engine