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Compound Detail

CHEMBL4744506

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Nc1ncnn2c([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)cc(Cl)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4744506
Phase Preclinical
Structure Type MOL
InChI Key SCNMZKANWHQNEA-MIBSWOBISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

300.7
MW (Da)
-0.88
ALogP
8
HBA
4
HBD
126.1
PSA (Ų)
0.57
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 C11H13ClN4O4
MW 300.70
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
32294613 10.1016/j.ejmech.2020.112198 RAW264.7 1
32294613 10.1016/j.ejmech.2020.112198 Unchecked 1

Data from ChEMBL 36 via Core Engine