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Compound Detail

CHEMBL4175789

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Nc1nc2nnccc2c(=O)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175789
Phase Preclinical
Structure Type MOL
InChI Key YRRMFYBKIDPCRC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

163.1
MW (Da)
-0.70
ALogP
5
HBA
2
HBD
97.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H5N5O
MW 163.14
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -0.55

Literature References

PubMed DOI Target Context # Activities
29220796 10.1016/j.ejmech.2017.11.079 Escherichia coli 1
29220796 10.1016/j.ejmech.2017.11.079 Unchecked 1
29220796 10.1016/j.ejmech.2017.11.079 Clostridioides difficile 1

Data from ChEMBL 36 via Core Engine