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Compound Detail

CHEMBL4096286

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O=c1c2ccccc2sn1-c1ccccc1I

Basic Information

ChEMBL ID CHEMBL4096286
Phase Preclinical
Structure Type MOL
InChI Key DYTCKCZRICZHNO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

353.2
MW (Da)
3.66
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H8INOS
MW 353.18
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
28159413 10.1016/j.bmcl.2017.01.027 Staphylococcus aureus 4
28159413 10.1016/j.bmcl.2017.01.027 Escherichia coli 1
28159413 10.1016/j.bmcl.2017.01.027 Pseudomonas aeruginosa 1
28159413 10.1016/j.bmcl.2017.01.027 Klebsiella pneumoniae 1
28159413 10.1016/j.bmcl.2017.01.027 Candida albicans 1
28159413 10.1016/j.bmcl.2017.01.027 Cryptococcus neoformans 1
28159413 10.1016/j.bmcl.2017.01.027 Sporothrix schenckii 1
28159413 10.1016/j.bmcl.2017.01.027 Trichophyton mentagrophytes 1
28159413 10.1016/j.bmcl.2017.01.027 Aspergillus fumigatus 1
28159413 10.1016/j.bmcl.2017.01.027 Candida parapsilosis 1
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