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Compound Detail

CHEMBL1525631

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O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1525631
Phase Preclinical
Structure Type MOL
InChI Key FCKGXEVHAIHNPA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

301.3
MW (Da)
2.72
ALogP
4
HBA
2
HBD
84.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H11N3O3S
MW 301.33
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.11

Literature References

PubMed DOI Target Context # Activities
30711311 10.1016/j.bmc.2019.01.023 Fructose-bisphosphate aldolase class 2 1

Data from ChEMBL 36 via Core Engine