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Compound Detail

CHEMBL474455

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O=[N+]([O-])c1cnc(Sc2nc3cc(S(=O)(=O)O)ccc3[nH]2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL474455
Phase Preclinical
Structure Type MOL
InChI Key OLIJKRYDEZKKSQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
2.33
ALogP
8
HBA
2
HBD
139.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6N4O5S3
MW 358.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.96

Literature References

PubMed DOI Target Context # Activities
19282190 10.1016/j.bmc.2009.02.046 Unchecked 2

Data from ChEMBL 36 via Core Engine