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Compound Detail

CHEMBL4871274

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Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](F)[C@H]3O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4871274
Phase Preclinical
Structure Type MOL
InChI Key BBWXIJICDDYYJZ-DXTOWSMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

284.2
MW (Da)
-1.42
ALogP
9
HBA
4
HBD
145.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13FN6O3
MW 284.25
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.65

Literature References

PubMed DOI Target Context # Activities
33667845 10.1016/j.ejmech.2021.113290 Trypanosoma brucei brucei 1
33667845 10.1016/j.ejmech.2021.113290 Macrophage 1
33667845 10.1016/j.ejmech.2021.113290 Leishmania infantum 1
33667845 10.1016/j.ejmech.2021.113290 MRC5 1
33667845 10.1016/j.ejmech.2021.113290 Trypanosoma cruzi 1
33667845 10.1016/j.ejmech.2021.113290 Trypanosoma brucei rhodesiense 1

Data from ChEMBL 36 via Core Engine