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Compound Detail

CHEMBL5267821

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COCCN1CN(C2c3ccccc3CCc3ccccc32)n2cc(C(=O)O)c(=O)c(O)c2C1=O

Basic Information

ChEMBL ID CHEMBL5267821
Phase Preclinical
Structure Type MOL
InChI Key GUUPKMAMOFNDIX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

475.5
MW (Da)
2.14
ALogP
7
HBA
2
HBD
112.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O6
MW 475.50
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -0.20

Activity Summary

EC50 2 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Junin virus
CHEMBL4523072
EC50 8.3 8.3 5.0 1
Mammarenavirus choriomeningitidis
CHEMBL5291622
EC50 8.28 8.28 5.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36758821 10.1016/j.bmcl.2023.129175 Junin virus 1
36758821 10.1016/j.bmcl.2023.129175 Mammarenavirus choriomeningitidis 1

Data from ChEMBL 36 via Core Engine