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Compound Detail

CHEMBL558887

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OCCSC[C@H]1O[C@@H](n2cnc3c(F)ncnc32)[C@H](O)[C@@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL558887
Phase Preclinical
Structure Type MOL
InChI Key GXZBUPDJUBMUGF-WOUKDFQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.3
MW (Da)
-0.69
ALogP
9
HBA
3
HBD
113.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15FN4O4S
MW 330.34
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.41

Literature References

PubMed DOI Target Context # Activities
17954686 10.1128/aac.00480-07 Trypanosoma brucei brucei 4
17954686 10.1128/aac.00480-07 Unchecked 2

Data from ChEMBL 36 via Core Engine