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Compound Detail

CHEMBL559285

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NC(=O)c1ncn([C@@H]2O[C@H](CSCCO)[C@@H](O)[C@H]2O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL559285
Phase Preclinical
Structure Type MOL
InChI Key YTVFKJQKVBHXOS-DAGMQNCNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
-2.28
ALogP
9
HBA
4
HBD
143.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H16N4O5S
MW 304.33
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.14

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