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Compound Detail

CHEMBL5424553

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Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCc2ccc(Cl)cc2)=CC4=NCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424553
Phase Preclinical
Structure Type MOL
InChI Key OAGZTFIEDOSHHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.0
MW (Da)
3.90
ALogP
6
HBA
1
HBD
80.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20ClN3O3S
MW 465.96
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -0.17

Activity Summary

IC50 1 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Streptococcus mutans
CHEMBL612426
 IC50 5.6 5.6 2500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Streptococcus mutans IC50 = 2500.0 nM 5.6 Antibiofilm activity against Streptococcus mutans UA159 assessed as inhibition o... 35724567

Literature References

PubMed DOI Target Context # Activities
35724567 10.1016/j.ejmech.2022.114513 Streptococcus mutans 1

Data from ChEMBL 36 via Core Engine