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Compound Detail

CHEMBL89365

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O=c1[nH]c(=O)n([C@@H]2CS[C@@H](CO)O2)cc1I
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL89365
Phase Preclinical
Structure Type MOL
InChI Key UYRNPIMGMUUQJL-WDSKDSINSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

356.1
MW (Da)
-0.28
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.71
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 C8H9IN2O4S
MW 356.14
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness 0.83

Activity Summary

EC50 1 meas.

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