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Compound Detail

CHEMBL4174303

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O=c1[nH]c(NCCc2c[nH]cn2)nc2[nH]cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4174303
Phase Preclinical
Structure Type MOL
InChI Key GJYZYUZMSDKICN-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
0.02
ALogP
5
HBA
4
HBD
115.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H11N7O
MW 245.25
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -0.60

Activity Summary

Kd 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine