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Compound Detail

CHEMBL5555082

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CS(=O)(=O)C1=CN(Cc2ccccc2)C(=O)N2CCN=C12

Basic Information

ChEMBL ID CHEMBL5555082
Phase Preclinical
Structure Type MOL
InChI Key DLWCHPWBHMEGLE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

305.4
MW (Da)
1.22
ALogP
4
HBA
0
HBD
70.0
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N3O3S
MW 305.36
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.96

Activity Summary

EC50 1 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BK polyomavirus
CHEMBL4888480
EC50 6.18 6.18 660.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BK polyomavirus EC50 = 660.0 nM 6.18 Antiviral activity against BK polyomavirus MM infected in human HFF cells assess... 38784469

Literature References

PubMed DOI Target Context # Activities
38784469 10.1039/d3md00718a BK polyomavirus 1
38784469 10.1039/d3md00718a HFF 1

Data from ChEMBL 36 via Core Engine