Compound Detail
CHEMBL5427389
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Cc1ccc(S(=O)(=O)n2cc3c4c2C(=O)C(NCCc2ccc5c(c2)COC5)=CC4=NCC3)cc1
Basic Information
| ChEMBL ID | CHEMBL5427389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBKJYBIIUIUWFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
487.6
MW (Da)
3.32
ALogP
7
HBA
1
HBD
89.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus mutans CHEMBL612426 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus mutans | IC50 | = | 400.0 | nM | 6.4 | 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