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Compound Detail

CHEMBL89449

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O=C1NC(O)C=CN1[C@@H]1CS[C@@H](CO)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89449
Phase Preclinical
Structure Type MOL
InChI Key UCPIJORXTJEWFN-BYRXKDITSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
-0.75
ALogP
5
HBA
3
HBD
82.0
PSA (Ų)
0.58
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 C8H12N2O4S
MW 232.26
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness 1.43

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