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Compound Detail

CHEMBL198878

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O=C(O)C(=O)/C=C(\O)c1cc2c(s1)-c1cc(F)ccc1OC2

Basic Information

ChEMBL ID CHEMBL198878
Phase Preclinical
Structure Type MOL
InChI Key RHMOONGOOMRJEO-YHYXMXQVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
3.00
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.52
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 C15H9FO5S
MW 320.30
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
IC50 4.57 4.57 27000.0 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