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Compound Detail

CHEMBL4753445

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COc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4753445
Phase Preclinical
Structure Type MOL
InChI Key UQAWORGCRJBWPG-LPBBDHJYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
0.08
ALogP
7
HBA
2
HBD
89.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O4
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.81

Literature References

PubMed DOI Target Context # Activities
31931339 10.1016/j.ejmech.2019.112018 Trypanosoma brucei brucei 1
31931339 10.1016/j.ejmech.2019.112018 Trypanosoma brucei rhodesiense 1
31931339 10.1016/j.ejmech.2019.112018 MRC5 1

Data from ChEMBL 36 via Core Engine