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Compound Detail

CHEMBL4846810

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O=c1[nH]cnc2c1c(Br)nn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Basic Information

ChEMBL ID CHEMBL4846810
Phase Preclinical
Structure Type MOL
InChI Key WTRYUZRWLPJGTQ-BHBWVORQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

347.1
MW (Da)
-1.51
ALogP
8
HBA
4
HBD
133.5
PSA (Ų)
0.52
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 C10H11BrN4O5
MW 347.12
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.48

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