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Compound Detail

CHEMBL324883

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CC(C)(C)OC(=O)c1cc(=O)c(O)c(C(=O)O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL324883
Phase Preclinical
Structure Type MOL
InChI Key QEZDDRLJHCUDSG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

256.2
MW (Da)
1.00
ALogP
6
HBA
2
HBD
114.0
PSA (Ų)
0.76
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 C11H12O7
MW 256.21
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 4.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
 IC50 4.44 4.44 36000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
RNA-directed RNA polymerase IC50 = 36000.0 nM 4.44 Inhibitory potency against NS5B HCV polymerase 15149686

Literature References

PubMed DOI Target Context # Activities
15149686 10.1016/j.bmcl.2004.03.087 RNA-directed RNA polymerase 1
15149686 10.1016/j.bmcl.2004.03.087 Hepatitis C virus 1

Data from ChEMBL 36 via Core Engine