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Compound Detail

CHEMBL491074

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CN(CC(=O)O)c1nc2cc([N+](=O)[O-])ccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL491074
Phase Preclinical
Structure Type MOL
InChI Key GTRBLHHHSVCXMN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

267.3
MW (Da)
1.73
ALogP
6
HBA
1
HBD
96.6
PSA (Ų)
0.67
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 C10H9N3O4S
MW 267.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.31

Literature References

PubMed DOI Target Context # Activities
18778048 10.1021/jm800328v ATP phosphoribosyltransferase 2

Data from ChEMBL 36 via Core Engine