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Compound Detail

CHEMBL362185

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N#Cc1ccc(Br)cc1COc1cccc(/C(O)=C/C(=O)C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL362185
Phase Preclinical
Structure Type MOL
InChI Key VYCNWMKEDMIMAF-PXNMLYILSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

402.2
MW (Da)
3.45
ALogP
5
HBA
2
HBD
107.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12BrNO5
MW 402.20
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.93

Activity Summary

IC50 2 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RNA-directed RNA polymerase
CHEMBL4296320
IC50 7.0 7.0 100.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14695815 10.1021/jm0342109 RNA-directed RNA polymerase 1
16190757 10.1021/jm0504454 RNA-directed RNA polymerase 1

Data from ChEMBL 36 via Core Engine