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Compound Detail

CHEMBL402358

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O=C(O)CC1S/C(=N\N=C\c2ccc(Cl)cc2Cl)N(c2ccccc2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL402358
Phase Preclinical
Structure Type MOL
InChI Key PIFAVAPRZQXXCT-AMRBFANRSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
4.31
ALogP
5
HBA
1
HBD
82.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13Cl2N3O3S
MW 422.29
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.42

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 Micrococcus luteus 3
17905587 10.1016/j.bmc.2007.09.025 Mycobacterium tuberculosis 3
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 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 Saccharomyces cerevisiae 1
17905587 10.1016/j.bmc.2007.09.025 Candida albicans 1

Data from ChEMBL 36 via Core Engine