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Compound Detail

CHEMBL2315149

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CCOc1ccc(-n2c(C(=O)O)nc3cc(NCc4ccc(CC)cc4)cnc32)cc1

Basic Information

ChEMBL ID CHEMBL2315149
Phase Preclinical
Structure Type MOL
InChI Key BVBJWAWNJMTFAL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.5
MW (Da)
4.69
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O3
MW 416.48
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 9.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lassa virus
CHEMBL615051
EC50 9.8 9.8 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lassa virus EC50 = 0.16 nM 9.8 Antiviral activity against Lassa virus by pseudo-type antiviral assay 23265900

Literature References

PubMed DOI Target Context # Activities
23265900 10.1016/j.bmcl.2012.11.093 Lassa virus 1

Data from ChEMBL 36 via Core Engine