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Compound Detail

CHEMBL4435578

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

Basic Information

ChEMBL ID CHEMBL4435578
Phase Preclinical
Structure Type MOL
InChI Key ZAEGPCQTFRAUGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
-0.15
ALogP
9
HBA
2
HBD
122.7
PSA (Ų)
0.44
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 C8H9N5O4S
MW 271.26
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.63

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