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Compound Detail

CHEMBL497143

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CC(=O)n1ccc2cc(C(=O)Oc3cncc(Cl)c3)ccc21

Basic Information

ChEMBL ID CHEMBL497143
Phase Preclinical
Structure Type MOL
InChI Key OCDAGQUKTMTFLK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.7
MW (Da)
3.57
ALogP
5
HBA
0
HBD
61.2
PSA (Ų)
0.68
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 C16H11ClN2O3
MW 314.73
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.14

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SARS-CoV
CHEMBL4303836
IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SARS-CoV IC50 = 400.0 nM 6.4 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 Replicase polyprotein 1a 1
18796354 10.1016/j.bmcl.2008.08.082 SARS-CoV 1

Data from ChEMBL 36 via Core Engine