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Compound Detail

CHEMBL4864499

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CC(C)Oc1ccc(-c2cnc3ccc(-c4cnn(C5CC5)c4)cn23)cc1

Basic Information

ChEMBL ID CHEMBL4864499
Phase Preclinical
Structure Type MOL
InChI Key IOWDRMYZEKDVLW-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.99
ALogP
5
HBA
0
HBD
44.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N4O
MW 358.45
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.34

Activity Summary

EC50 2 meas. best 8.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
EC50 8.2 8.2 6.4 1
Lassa virus
CHEMBL615051
EC50 7.87 7.87 13.4 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