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Compound Detail

CHEMBL4169294

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NCCNc1nc(N)nc2[nH]cnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4169294
Phase Preclinical
Structure Type MOL
InChI Key SBXHVNKVDXBPCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

193.2
MW (Da)
-0.69
ALogP
6
HBA
4
HBD
118.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H11N7
MW 193.21
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.82

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