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Compound Detail

CHEMBL1269814

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Cc1nccc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1269814
Phase Preclinical
Structure Type MOL
InChI Key KOZKXBRRWVPGCW-HJQYOEGKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
-0.65
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O4
MW 265.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 1.10

Literature References

PubMed DOI Target Context # Activities
20964406 10.1021/jm100593s ADMET 3
20964406 10.1021/jm100593s Enterovirus C 1
20964406 10.1021/jm100593s dengue virus type 2 1

Data from ChEMBL 36 via Core Engine