Compound Detail
CHEMBL475980
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Basic Information
| ChEMBL ID | CHEMBL475980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFOQEUISZKKQOJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
281.3
MW (Da)
1.30
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trichomonas vaginalis CHEMBL612884 | IC50 | 6.7 | 6.7 | 199.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trichomonas vaginalis | IC50 | = | 199.0 | nM | 6.7 | 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