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Compound Detail

CHEMBL4434960

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CCc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nccc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4434960
Phase Preclinical
Structure Type MOL
InChI Key BFPFZDXJDUTOLW-XIDUGBJDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
-0.21
ALogP
7
HBA
4
HBD
113.8
PSA (Ų)
0.62
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 C14H19N3O4
MW 293.32
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.91

Literature References

PubMed DOI Target Context # Activities
31495177 10.1021/acs.jmedchem.9b01275 Trypanosoma cruzi 1
31495177 10.1021/acs.jmedchem.9b01275 Unchecked 1

Data from ChEMBL 36 via Core Engine