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Compound Detail

CHEMBL592108

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O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL592108
Phase Preclinical
Structure Type MOL
InChI Key CENQWLUZEXKRGF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
3.37
ALogP
6
HBA
1
HBD
98.0
PSA (Ų)
0.59
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 C15H10N4O3S
MW 326.34
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -2.35

Literature References

PubMed DOI Target Context # Activities
24075144 10.1016/j.bmc.2013.08.048 Mycobacterium tuberculosis 3
20485428 10.1038/nature09099 Plasmodium falciparum 2
24075144 10.1016/j.bmc.2013.08.048 Vero 1

Data from ChEMBL 36 via Core Engine