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Compound Detail

CHEMBL3290644

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CCOC(=O)CCN1c2c(ssc2=O)Sc2ssc(=O)c21

Basic Information

ChEMBL ID CHEMBL3290644
Phase Preclinical
Structure Type MOL
InChI Key LBNZFSHDWNVSMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.21
ALogP
10
HBA
0
HBD
63.7
PSA (Ų)
0.60
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 C11H9NO4S5
MW 379.53
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.54

Activity Summary

EC50 1 meas. best 7.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Feline immunodeficiency virus
CHEMBL613744
EC50 7.79 7.79 16.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24813732 10.1016/j.bmcl.2014.04.073 ADMET 3
24813732 10.1016/j.bmcl.2014.04.073 Feline immunodeficiency virus 1

Data from ChEMBL 36 via Core Engine