Compound Detail
CHEMBL244987
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Basic Information
| ChEMBL ID | CHEMBL244987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BQXXXVQLOOIBPN-UHFFFAOYSA-N |
4
Targets
6
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
352.5
MW (Da)
2.58
ALogP
7
HBA
4
HBD
72.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.6
EC50 1 meas.
Ki 1 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 7.74 | 7.74 | 18.2 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.6 | 7.6 | 25.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 6.41 | 6.41 | 386.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.63 | 4.63 | 23300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-2 | Ki | = | 18.2 | nM | 7.74 | Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain fron... | 17691718 |
| Plasmodium falciparum | IC50 | = | 25.0 | nM | 7.6 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 386.0 | nM | 6.41 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| L6 | IC50 | = | 23300.0 | nM | 4.63 | Cytotoxicity against rat L6 cells | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 3 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 3 |
| 18247550 | 10.1021/jm7013088 | Unchecked | 3 |
| 18247550 | 10.1021/jm7013088 | Trypanosoma brucei rhodesiense | 1 |
| 18247550 | 10.1021/jm7013088 | L6 | 1 |
| 18247550 | 10.1021/jm7013088 | Ferriprotoporphyrin IX | 1 |
Data from ChEMBL 36 via Core Engine