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Compound Detail

CHEMBL258982

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CSc1ncnc2c1c(Br)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258982
Phase Preclinical
Structure Type MOL
InChI Key IRFZERSLBNKSOA-WOUKDFQISA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

376.2
MW (Da)
0.53
ALogP
8
HBA
3
HBD
100.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14BrN3O4S
MW 376.23
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.55

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2846837 10.1021/jm00119a006 Human betaherpesvirus 5 1
2846837 10.1021/jm00119a006 HFF 1
2846837 10.1021/jm00119a006 ADMET 1
18289860 10.1016/j.bmc.2008.01.044 Equilibrative nucleoside transporter 1 1

Data from ChEMBL 36 via Core Engine