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Compound Detail

CHEMBL5209135

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CNc1ncnc2c1ccn2[C@@H]1O[C@H](CO)C[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5209135
Phase Preclinical
Structure Type MOL
InChI Key KGCYTYNWIZWRJL-LPBBDHJYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
0.11
ALogP
7
HBA
3
HBD
92.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O3
MW 264.29
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.86

Literature References

PubMed DOI Target Context # Activities
35144125 10.1016/j.ejmech.2022.114165 MRC5 1
35144125 10.1016/j.ejmech.2022.114165 Trypanosoma cruzi 1
35144125 10.1016/j.ejmech.2022.114165 Leishmania infantum 1
35144125 10.1016/j.ejmech.2022.114165 Macrophage 1

Data from ChEMBL 36 via Core Engine