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Compound Detail

CHEMBL2315146

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CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1

Basic Information

ChEMBL ID CHEMBL2315146
Phase Preclinical
Structure Type MOL
InChI Key JADAFHJMBASJLK-UHFFFAOYSA-N
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

372.5
MW (Da)
4.99
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N4O
MW 372.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.57

Activity Summary

EC50 5 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
NON-PROTEIN TARGET
CHEMBL3879801
EC50 8.46 7.865 3.5 2
Junin virus
CHEMBL4523072
EC50 8.1 8.1 7.9 1
Machupo mammarenavirus
CHEMBL4888477
EC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23265900 10.1016/j.bmcl.2012.11.093 NON-PROTEIN TARGET 2
23265900 10.1016/j.bmcl.2012.11.093 Junin virus 1
23265900 10.1016/j.bmcl.2012.11.093 Machupo mammarenavirus 1
23265900 10.1016/j.bmcl.2012.11.093 Lassa virus 1

Data from ChEMBL 36 via Core Engine