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Compound Detail

CHEMBL564320

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

Basic Information

ChEMBL ID CHEMBL564320
Phase Preclinical
Structure Type MOL
InChI Key XEFPSNCCUZFZKD-WOUKDFQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
-1.12
ALogP
10
HBA
4
HBD
133.8
PSA (Ų)
0.50
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 C12H16N4O5S
MW 328.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.58

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