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Compound Detail

CHEMBL4870841

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Nc1ncnc2c1c(Oc1ccc(Cl)cc1)nn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4870841
Phase Preclinical
Structure Type MOL
InChI Key FUFHYTPWYCOGOL-UBEDBUPSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

393.8
MW (Da)
0.47
ALogP
10
HBA
4
HBD
148.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClN5O5
MW 393.79
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.05

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