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Compound Detail

CHEMBL4463269

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O=c1c([N+](=O)[O-])c(NCCc2ccc(O)cc2)nc2scnn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4463269
Phase Preclinical
Structure Type MOL
InChI Key KZWZKCAHOPKKBX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
1.42
ALogP
9
HBA
2
HBD
122.7
PSA (Ų)
0.53
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 C13H11N5O4S
MW 333.33
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.25

Activity Summary

IC50 1 meas.

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