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Compound Detail

CHEMBL2435292

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C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2435292
Phase Preclinical
Structure Type MOL
InChI Key YITHUUVXKHPYLM-GILQPYTJSA-N
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
83.7
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O3
MW 387.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.53

Activity Summary

EC50 6 meas. best 9.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lassa virus
CHEMBL615051
 EC50 9.47 9.47 0.3 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.92 6.905 120.0 2
Tacaribe virus
CHEMBL613131
 EC50 6.2 6.2 630.0 1
Machupo mammarenavirus
CHEMBL4888477
 EC50 6.14 6.14 730.0 1
Junin virus
CHEMBL4523072
 EC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lassa virus EC50 = 0.34 nM 9.47 Antiviral activity against Lassa virus pseudotype containing envelope glycoprote... 24064500
NON-PROTEIN TARGET EC50 = 120.0 nM 6.92 Antiviral activity against Guanarito virus pseudotype containing viral envelope 24064500
NON-PROTEIN TARGET EC50 = 130.0 nM 6.89 Antiviral activity against Sabia virus pseudotype containing viral envelope 24064500
Tacaribe virus EC50 = 630.0 nM 6.2 Antiviral activity against Tacaribe virus pseudotype containing viral envelope 24064500
Machupo mammarenavirus EC50 = 730.0 nM 6.14 Antiviral activity against Machupo virus pseudotype containing viral envelope 24064500
Junin virus EC50 = 800.0 nM 6.1 Antiviral activity against Junin virus pseudotype containing viral envelope 24064500

Literature References

PubMed DOI Target Context # Activities
24064500 10.1016/j.bmcl.2013.08.103 Lassa virus 2
24064500 10.1016/j.bmcl.2013.08.103 NON-PROTEIN TARGET 2
24064500 10.1016/j.bmcl.2013.08.103 Tacaribe virus 1
24064500 10.1016/j.bmcl.2013.08.103 Junin virus 1
24064500 10.1016/j.bmcl.2013.08.103 Machupo mammarenavirus 1

Data from ChEMBL 36 via Core Engine