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Compound Detail

CHEMBL557087

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

Basic Information

ChEMBL ID CHEMBL557087
Phase Preclinical
Structure Type MOL
InChI Key VACNCXTZSADXOB-IOSLPCCCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
-1.75
ALogP
9
HBA
4
HBD
131.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C11H16N6O3
MW 280.29
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 1.02

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