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Compound Detail

CHEMBL347305

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COc1ncnc2c1ncn2[C@@H]1CO[C@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL347305
Phase Preclinical
Structure Type MOL
InChI Key BCHSZIJLJINNKF-BQBZGAKWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

252.2
MW (Da)
-0.30
ALogP
8
HBA
1
HBD
91.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N4O4
MW 252.23
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.27

Literature References

PubMed DOI Target Context # Activities
8496934 10.1021/jm00057a001 Human immunodeficiency virus 1 1
8496934 10.1021/jm00057a001 ADMET 1
8496934 10.1021/jm00057a001 Vero 1

Data from ChEMBL 36 via Core Engine