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Compound Detail

CHEMBL1084226

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COc1ccc(C2(C(=O)N(C)c3ccccc3)CCCC2)cc1

Basic Information

ChEMBL ID CHEMBL1084226
Phase Preclinical
Structure Type MOL
InChI Key WSWLKQOWBACIES-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
4.17
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23NO2
MW 309.41
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.81

Activity Summary

EC50 1 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Influenza A virus (A/Puerto Rico/8/1934(H1N1))
CHEMBL612610
EC50 6.12 6.12 750.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
20494579 10.1016/j.bmcl.2010.04.141 Influenza A virus (A/Puerto Rico/8/1934(H1N1)) 1
20494579 10.1016/j.bmcl.2010.04.141 MDCK 1

Data from ChEMBL 36 via Core Engine