Compound Detail
CHEMBL230861
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Basic Information
| ChEMBL ID | CHEMBL230861 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUCASNBINXMMNV-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
1.90
ALogP
4
HBA
2
HBD
39.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.82
EC50 1 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.4 | 4.4 | 40100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | EC50 | = | 2760.0 | nM | 5.56 | Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS bin... | 17691718 |
| Plasmodium falciparum | IC50 | = | 15000.0 | nM | 4.82 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 40100.0 | nM | 4.4 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 2 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
Data from ChEMBL 36 via Core Engine