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Compound Detail

CHEMBL253040

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COc1ccc(/C=N/N=C2\SC(CC(=O)O)C(=O)N2c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL253040
Phase Preclinical
Structure Type MOL
InChI Key ZNMVGHHYRVOWAY-DAEVNUGZSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

383.4
MW (Da)
3.01
ALogP
6
HBA
1
HBD
91.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N3O4S
MW 383.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.08

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
17905587 10.1016/j.bmc.2007.09.025 Toxoplasma gondii 7
17905587 10.1016/j.bmc.2007.09.025 Candida 3
17905587 10.1016/j.bmc.2007.09.025 Vero 1
17905587 10.1016/j.bmc.2007.09.025 Staphylococcus aureus 1
17905587 10.1016/j.bmc.2007.09.025 Bacillus subtilis 1
17905587 10.1016/j.bmc.2007.09.025 Micrococcus luteus 1
17905587 10.1016/j.bmc.2007.09.025 Escherichia coli 1
17905587 10.1016/j.bmc.2007.09.025 Klebsiella pneumoniae 1
17905587 10.1016/j.bmc.2007.09.025 Enterococcus faecalis 1
17905587 10.1016/j.bmc.2007.09.025 Mycolicibacterium phlei 1
17905587 10.1016/j.bmc.2007.09.025 Mycolicibacterium smegmatis 1
17905587 10.1016/j.bmc.2007.09.025 Mycobacterium tuberculosis 1
17905587 10.1016/j.bmc.2007.09.025 Saccharomyces cerevisiae 1
17905587 10.1016/j.bmc.2007.09.025 Candida albicans 1

Data from ChEMBL 36 via Core Engine