Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4088996

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)[C@H](C(C)C)n1sc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4088996
Phase Preclinical
Structure Type MOL
InChI Key XLEOZYKDPKLJFV-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.43
ALogP
5
HBA
0
HBD
48.3
PSA (Ų)
0.80
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 C13H15NO3S
MW 265.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.53

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