Compound Detail
CHEMBL4593570
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Basic Information
| ChEMBL ID | CHEMBL4593570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHDKBWZTUMGSQI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4597223 |
| Active Moiety | CHEMBL4597223 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
293.5
MW (Da)
5.63
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus mutans CHEMBL612426 | IC50 | 6.03 | 6.03 | 940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus mutans | IC50 | = | 940.0 | nM | 6.03 | Antibiofilm activity against Streptococcus mutans assessed as inhibition of biof... | 31391878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31391878 | 10.1039/C9MD00015A | Streptococcus mutans | 2 |
Data from ChEMBL 36 via Core Engine