Compound Detail
CHEMBL75214
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Basic Information
| ChEMBL ID | CHEMBL75214 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBLYUCKTWSGGBI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
200.3
MW (Da)
-0.49
ALogP
2
HBA
6
HBD
123.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei rhodesiense | IC50 | = | 8050.0 | nM | 5.09 | In vitro antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15084128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15084128 | 10.1021/jm031024u | L6 | 2 |
| 15084128 | 10.1021/jm031024u | Trypanosoma brucei rhodesiense | 1 |
| 7636868 | 10.1021/jm00016a008 | Deoxyhypusine synthase | 1 |
Data from ChEMBL 36 via Core Engine