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Compound Detail

CHEMBL61093

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Nc1nc(O)c2ncn([C@H]3CS[C@H](CO)O3)c2n1

Basic Information

ChEMBL ID CHEMBL61093
Phase Preclinical
Structure Type MOL
InChI Key VIUJWDGLDRZXDG-RFZPGFLSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
-0.31
ALogP
9
HBA
3
HBD
119.3
PSA (Ų)
0.68
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 C9H11N5O3S
MW 269.29
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1 2
8423591 10.1021/jm00054a001 Human immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine