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Compound Detail

CHEMBL490210

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CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Oc1cncc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490210
Phase Preclinical
Structure Type MOL
InChI Key DHEPUAXVQWBJND-INIZCTEOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

330.8
MW (Da)
2.61
ALogP
4
HBA
0
HBD
59.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15ClN2O3
MW 330.77
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SARS-CoV
CHEMBL4303836
 IC50 6.85 6.85 140.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SARS-CoV IC50 = 140.0 nM 6.85 Antiviral activity against SARS-CoV Urbani in african green monkey Vero E6 cells... 18796354

Literature References

PubMed DOI Target Context # Activities
18796354 10.1016/j.bmcl.2008.08.082 SARS-CoV 1
18796354 10.1016/j.bmcl.2008.08.082 Replicase polyprotein 1a 1

Data from ChEMBL 36 via Core Engine