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Compound Detail

CHEMBL439437

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OC[C@H]1O[C@@H](n2ccc3c(S)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL439437
Phase Preclinical
Structure Type MOL
InChI Key OYPIKKDDJHSVOA-KCGFPETGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

283.3
MW (Da)
-0.67
ALogP
8
HBA
4
HBD
100.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N3O4S
MW 283.31
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.82

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7143371 10.1021/jm00353a012 Vero 3
2846837 10.1021/jm00119a006 Human betaherpesvirus 5 1
2846837 10.1021/jm00119a006 HFF 1
2846837 10.1021/jm00119a006 ADMET 1
2539476 10.1021/jm00124a005 Human respirovirus 3 1
18289860 10.1016/j.bmc.2008.01.044 Equilibrative nucleoside transporter 1 1

Data from ChEMBL 36 via Core Engine