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Compound Detail

CHEMBL3263903

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CC(C)Cn1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL3263903
Phase Preclinical
Structure Type MOL
InChI Key RSTIJCMEJWYZCQ-GXHLCREISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
4.32
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19NO4
MW 349.39
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.1 5.1 8000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 8000.0 nM 5.1 Inhibition of HCV J4 genotype 1b NS5Bdelta21 polymerase using homopolymeric RNA ... 24835816

Literature References

PubMed DOI Target Context # Activities
24835816 10.1016/j.ejmech.2014.04.005 Unchecked 2

Data from ChEMBL 36 via Core Engine