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Compound Detail

CHEMBL4874598

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O=c1[nH]cnc2c1ccn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4874598
Phase Preclinical
Structure Type MOL
InChI Key RXQKOFXTTCXGSX-KCGFPETGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

269.2
MW (Da)
-0.69
ALogP
6
HBA
3
HBD
100.4
PSA (Ų)
0.67
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 C11H12FN3O4
MW 269.23
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.58

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