Compound Detail
CHEMBL454026
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Basic Information
| ChEMBL ID | CHEMBL454026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLZXSFPSJJMRIX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
127.1
MW (Da)
0.33
ALogP
4
HBA
0
HBD
61.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.2 | 6.2 | 629.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 629.0 | nM | 6.2 | Antitrichomonas activity against Trichomonas vaginalis TVR87 after 48 hrs by try... | 18590939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18590939 | 10.1016/j.ejmech.2008.05.015 | Salmonella typhimurium | 7 |
| 18590939 | 10.1016/j.ejmech.2008.05.015 | Trichomonas vaginalis | 1 |
| 18590939 | 10.1016/j.ejmech.2008.05.015 | THP-1 | 1 |
| 18590939 | 10.1016/j.ejmech.2008.05.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine