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Compound Detail

CHEMBL5420583

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CC[C@H](C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)O)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5420583
Phase Preclinical
Structure Type MOL
InChI Key WRIIMABDQXQCJG-DJJJIMSYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

384.9
MW (Da)
4.02
ALogP
3
HBA
1
HBD
70.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN2O3
MW 384.86
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.33

Activity Summary

EC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Yellow fever virus
CHEMBL613731
 EC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Yellow fever virus EC50 = 210.0 nM 6.68 Antiviral activity against Yellow fever virus 17D infected in Huh-7 cells assess... 36657300

Literature References

PubMed DOI Target Context # Activities
36657300 10.1016/j.ejmech.2023.115117 Yellow fever virus 1

Data from ChEMBL 36 via Core Engine