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Compound Detail

CHEMBL4175830

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Nc1nc(NC2CCCCC2)c2nc[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4175830
Phase Preclinical
Structure Type MOL
InChI Key FWZTVJTUAQOYAW-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.68
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6
MW 232.29
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.77

Activity Summary

Kd 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine