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Compound Detail

CHEMBL372359

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O=C(O)C(=O)/C=C(\O)c1cccc(OCc2ccsc2C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL372359
Phase Preclinical
Structure Type MOL
InChI Key GAGLLSXSZNUFQK-GHXNOFRVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
2.58
ALogP
6
HBA
3
HBD
121.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O7S
MW 348.33
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.75

Activity Summary

IC50 1 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
IC50 6.02 6.02 950.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16190757 10.1021/jm0504454 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine