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Compound Detail

CHEMBL4557028

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CC(=O)OCCNc1nc2scnn2c(=O)c1[N+](=O)[O-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4557028
Phase Preclinical
Structure Type MOL
InChI Key DQADSQNALOUMTP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

299.3
MW (Da)
0.03
ALogP
10
HBA
1
HBD
128.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H9N5O5S
MW 299.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
31683103 10.1016/j.ejmech.2019.111808 NON-PROTEIN TARGET 3
31683103 10.1016/j.ejmech.2019.111808 Dipeptidyl peptidase 4 2
31683103 10.1016/j.ejmech.2019.111808 No relevant target 1
31683103 10.1016/j.ejmech.2019.111808 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine