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Compound Detail

CHEMBL3142473

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CCCCCCCCCc1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3142473
Phase Preclinical
Structure Type MOL
InChI Key RYSZXLRUMKANPA-RCCFBDPRSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.5
MW (Da)
3.39
ALogP
7
HBA
2
HBD
84.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H30N2O4S
MW 394.54
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.31

Activity Summary

EC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEL
CHEMBL613888
 EC50 8.0 8.0 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEL EC50 = 10.0 nM 8.0 Antiviral activity was measured as effective concentration required to reduce Va... 11549457
HEL EC50 = 10.0 nM 8.0 Antiviral activity was measured as effective concentration required to reduce Va... 11549457

Literature References

PubMed DOI Target Context # Activities
11549457 10.1016/s0960-894x(01)00471-1 HEL 6

Data from ChEMBL 36 via Core Engine