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Compound Detail

CHEMBL1492498

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CCOc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12

Basic Information

ChEMBL ID CHEMBL1492498
Phase Preclinical
Structure Type MOL
InChI Key YPGOVAKRQUAHIC-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
3.80
ALogP
3
HBA
0
HBD
46.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23NO3S
MW 333.45
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.44

Activity Summary

EC50 2 meas. best 6.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mucolipin-3
CHEMBL1293243
EC50 6.02 6.005 950.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine