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Compound Detail

CHEMBL3765792

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O=[N+]([O-])c1cccc(-c2csc(N/N=C/c3ccccc3O)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3765792
Phase Preclinical
Structure Type MOL
InChI Key KIJUSYPHHQQMLD-RQZCQDPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.87
ALogP
7
HBA
2
HBD
100.7
PSA (Ų)
0.42
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 C16H12N4O3S
MW 340.36
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
26822568 10.1016/j.bmc.2016.01.028 Unchecked 1

Data from ChEMBL 36 via Core Engine