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Compound Detail

CHEMBL87718

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CSS[C@H]1C(O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87718
Phase Preclinical
Structure Type MOL
InChI Key JBJDMPIZUGEBEO-BJAJWGDDSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
-0.83
ALogP
8
HBA
3
HBD
104.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H14N2O5S2
MW 306.37
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.08

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
12801219 10.1021/jm0256225 Human immunodeficiency virus 1 1
12801219 10.1021/jm0256225 Human immunodeficiency virus 2 1
12801219 10.1021/jm0256225 CCRF-CEM 1
12801219 10.1021/jm0256225 MOLT-4 1
12801219 10.1021/jm0256225 L1210 1
12801219 10.1021/jm0256225 FM3A 1

Data from ChEMBL 36 via Core Engine