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Compound Detail

CHEMBL4862443

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Nc1ncnc2c1c(-c1nnn[nH]1)nn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4862443
Phase Preclinical
Structure Type MOL
InChI Key GYRMJHMRXZGPIZ-BBBNYMBOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

335.3
MW (Da)
-2.80
ALogP
12
HBA
5
HBD
194.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H13N9O4
MW 335.28
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.16

Literature References

PubMed DOI Target Context # Activities
33784107 10.1021/acs.jmedchem.1c00135 Trypanosoma cruzi 1
33784107 10.1021/acs.jmedchem.1c00135 Unchecked 1
33784107 10.1021/acs.jmedchem.1c00135 Leishmania infantum 1
33784107 10.1021/acs.jmedchem.1c00135 Peritoneal macrophage 1

Data from ChEMBL 36 via Core Engine