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Compound Detail

CHEMBL4866634

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CC(C)Oc1ccc(-c2ccc3ncc(-c4cccc(OC(C)C)c4)n3c2)cc1

Basic Information

ChEMBL ID CHEMBL4866634
Phase Preclinical
Structure Type MOL
InChI Key ONXALHJOEBCRGJ-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
6.24
ALogP
4
HBA
0
HBD
35.8
PSA (Ų)
0.39
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 C25H26N2O2
MW 386.50
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.15

Activity Summary

EC50 3 meas. best 7.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
EC50 7.93 7.93 11.7 1
Lassa virus
CHEMBL615051
EC50 7.84 7.84 14.5 1
Machupo mammarenavirus
CHEMBL4888477
EC50 7.69 7.69 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
33965007 10.1016/j.bmcl.2021.127983 Vero 1

Data from ChEMBL 36 via Core Engine