Compound Detail
CHEMBL367811
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Basic Information
| ChEMBL ID | CHEMBL367811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRTMXXHOLKYEJU-YBEGLDIGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
3.99
ALogP
2
HBA
2
HBD
50.7
PSA (Ų)
0.37
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rhodesain CHEMBL4188 | IC50 | 5.48 | 5.48 | 3330.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rhodesain | IC50 | = | 3330.0 | nM | 5.48 | Inhibitory concentration against rhodesain of Trypanosoma brucei rhodesience | 15582423 |
| Rhodesain | IC50 | = | 3330.0 | nM | 5.48 | Inhibition of Trypanosoma brucei rhodesiense rhodesain | 23611656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Cruzipain | 1 |
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Rhodesain | 1 |
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Falcipain 2 | 1 |
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Trypanosoma cruzi | 1 |
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Trypanosoma brucei rhodesiense | 1 |
| 15582423 | 10.1016/j.bmcl.2004.10.023 | Plasmodium falciparum | 1 |
| 23611656 | 10.1021/jm301424d | Rhodesain | 1 |
Data from ChEMBL 36 via Core Engine