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Compound Detail

CHEMBL2314859

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COc1ccc(-n2cnc3cc(NCc4ccc(C(C)C)cc4)ccc32)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2314859
Phase Preclinical
Structure Type MOL
InChI Key JPSZEXYTKSIPDW-UHFFFAOYSA-N
4
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
5.77
ALogP
4
HBA
1
HBD
39.1
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N3O
MW 371.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.38

Activity Summary

EC50 10 meas. best 9.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 9.36 8.52 0.4 4
Junin virus
CHEMBL4523072
 EC50 9.21 9.21 0.6 2
Lassa virus
CHEMBL615051
 EC50 8.85 8.85 1.4 2
Machupo mammarenavirus
CHEMBL4888477
 EC50 8.51 8.51 3.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 0.44 nM 9.36 Antiviral activity against Guanarito virus 23265900
NON-PROTEIN TARGET EC50 = 0.44 nM 9.36 Antiviral activity against Guanarito virus pseudovirions infected in HEK293T/17 ... 23265895
Junin virus EC50 = 0.62 nM 9.21 Antiviral activity against Junin virus 23265900
Junin virus EC50 = 0.62 nM 9.21 Antiviral activity against Junin virus pseudovirions infected in HEK293T/17 cell... 23265895
Lassa virus EC50 = 1.4 nM 8.85 Antiviral activity against Lassa virus by pseudo-type antiviral assay 23265900
Lassa virus EC50 = 1.4 nM 8.85 Antiviral activity against Lassa virus pseudovirions infected in HEK293T/17 cell... 23265895
Machupo mammarenavirus EC50 = 3.1 nM 8.51 Antiviral activity against Machupo virus 23265900
Machupo mammarenavirus EC50 = 3.1 nM 8.51 Antiviral activity against Machupo virus pseudovirions infected in HEK293T/17 ce... 23265895
NON-PROTEIN TARGET EC50 = 21.0 nM 7.68 Antiviral activity against Sabia virus 23265900
NON-PROTEIN TARGET EC50 = 21.0 nM 7.68 Antiviral activity against Sabia virus pseudovirions infected in HEK293T/17 cell... 23265895

Literature References

PubMed DOI Target Context # Activities
23265895 10.1016/j.bmcl.2012.11.095 Lassa virus 3
23265900 10.1016/j.bmcl.2012.11.093 NON-PROTEIN TARGET 2
23265895 10.1016/j.bmcl.2012.11.095 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
23265895 10.1016/j.bmcl.2012.11.095 Junin virus 1
23265895 10.1016/j.bmcl.2012.11.095 Machupo mammarenavirus 1

Data from ChEMBL 36 via Core Engine