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Compound Detail

CHEMBL1688965

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C[n+]1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c(=O)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1688965
Phase Preclinical
Structure Type MOL
InChI Key VJNXUFOTKNTNPG-IOSLPCCCSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
-2.84
ALogP
7
HBA
4
HBD
124.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H15N4O5+
MW 283.26
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.31

Literature References

PubMed DOI Target Context # Activities
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
20921305 10.1128/aac.01029-10 J774.A1 1

Data from ChEMBL 36 via Core Engine