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Compound Detail

CHEMBL314404

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Cc1cn([C@@H]2CS[C@@H](CO)O2)c(=O)nc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL314404
Phase Preclinical
Structure Type MOL
InChI Key ZQVQEBGUQLDSPM-BQBZGAKWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

243.3
MW (Da)
-0.29
ALogP
7
HBA
2
HBD
90.4
PSA (Ų)
0.74
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 C9H13N3O3S
MW 243.29
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 1.03

Literature References

PubMed DOI Target Context # Activities
8410975 10.1021/jm00070a006 Human immunodeficiency virus 1 2
8410975 10.1021/jm00070a006 Vero 1

Data from ChEMBL 36 via Core Engine