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Compound Detail

CHEMBL313615

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Cc1cn([C@@H]2CS[C@@H](CO)O2)c(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313615
Phase Preclinical
Structure Type MOL
InChI Key GCMLYCFXOXELDY-BQBZGAKWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
-0.57
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.73
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 C9H12N2O4S
MW 244.27
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.96

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