Compound Detail
CHEMBL243061
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Basic Information
| ChEMBL ID | CHEMBL243061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSPUUFZLWUWKHF-UHFFFAOYSA-N |
2
Targets
3
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
205.2
MW (Da)
0.79
ALogP
5
HBA
2
HBD
54.9
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas.
IC50 1 meas. best 4.03
Ki 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.33 | 7.33 | 46.8 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.03 | 4.03 | 93500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 46.77 | nM | 7.33 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Trypanosoma brucei rhodesiense | IC50 | = | 93500.0 | nM | 4.03 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Rattus norvegicus | 2 |
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 1 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 18459731 | 10.1021/jm800026x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine