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Compound Detail

CHEMBL258729

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O=[N+]([O-])c1cccc2c1CN(c1ncnc3c1nc1n3[C@@H]3O[C@H](CO1)[C@@H](O)[C@H]3O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258729
Phase Preclinical
Structure Type MOL
InChI Key DBWXVHZHCOPGDV-SCFUHWHPSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

426.4
MW (Da)
0.31
ALogP
11
HBA
2
HBD
148.9
PSA (Ų)
0.43
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O6
MW 426.39
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.04

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18289860 10.1016/j.bmc.2008.01.044 Equilibrative nucleoside transporter 1 2

Data from ChEMBL 36 via Core Engine