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Compound Detail

CHEMBL4865002

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CC(C)Oc1ccc(-c2ccc3cnn(-c4ccc(OC(C)C)cc4)c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4865002
Phase Preclinical
Structure Type MOL
InChI Key VIWCOGHNVAGBPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

386.5
MW (Da)
6.27
ALogP
4
HBA
0
HBD
36.3
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 -1.01

Activity Summary

EC50 1 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
 EC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Junin virus EC50 = 13.98 nM 7.85 Antiviral activity against pseudotyped Junin virus 33965007

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