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Compound Detail

CHEMBL244859

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COc1ccc(/C=C2/SC(=O)NC2=O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL244859
Phase Preclinical
Structure Type MOL
InChI Key ARJGUVIAPHIKLE-UXBLZVDNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.03
ALogP
5
HBA
1
HBD
64.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11NO4S
MW 265.29
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -0.88

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17223347 10.1016/j.bmc.2007.01.004 SK-BR-3 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
17223347 10.1016/j.bmc.2007.01.004 Unchecked 1
17223347 10.1016/j.bmc.2007.01.004 MCF7 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine