Compound Detail
CHEMBL4743727
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Basic Information
| ChEMBL ID | CHEMBL4743727 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFUSTVDUMVZFDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
291.3
MW (Da)
2.59
ALogP
3
HBA
2
HBD
85.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus mutans CHEMBL612426 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus mutans | IC50 | = | 15300.0 | nM | 4.82 | Antibiofilm activity against Streptococcus mutans UA159 assessed as inhibition o... | 33488963 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Streptococcus mutans | 6 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Glucosyltransferase-S | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Glucosyltransferase-I | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Glucosyltransferase-SI | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | ADMET | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Streptococcus gordonii | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | Streptococcus sanguinis | 1 |
| 33488963 | 10.1021/acsmedchemlett.0c00373 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine