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Compound Detail

CHEMBL4877127

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CC(C)Oc1ccc(-c2ccc3ccn(-c4ccc(OC(C)C)cc4)c3c2)cc1

Basic Information

ChEMBL ID CHEMBL4877127
Phase Preclinical
Structure Type MOL
InChI Key YNJMEMFHKOOQNV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

385.5
MW (Da)
6.87
ALogP
3
HBA
0
HBD
23.4
PSA (Ų)
0.36
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27NO2
MW 385.51
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -0.78

Activity Summary

EC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
EC50 9.05 9.05 0.9 1
Machupo mammarenavirus
CHEMBL4888477
EC50 7.68 7.68 20.6 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33965007 10.1016/j.bmcl.2021.127983 Lassa virus 1
33965007 10.1016/j.bmcl.2021.127983 Machupo mammarenavirus 1
33965007 10.1016/j.bmcl.2021.127983 Junin virus 1

Data from ChEMBL 36 via Core Engine