Compound Detail
CHEMBL242759
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Basic Information
| ChEMBL ID | CHEMBL242759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNHVIEKFPXTSAV-UHFFFAOYSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.04
ALogP
3
HBA
7
HBD
135.8
PSA (Ų)
0.34
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.66
Ki 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 8.66 | 8.59 | 2.2 | 2 |
| Plasmodium falciparum CHEMBL364 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 7.66 | 7.16 | 22.0 | 2 |
| L6 CHEMBL614793 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2.2 | nM | 8.66 | Antitrypanosomal activity against trypomastigotes of AT1 knockout Trypanosoma br... | 16759117 |
| Trypanosoma brucei brucei | IC50 | = | 3.0 | nM | 8.52 | Antitrypanosomal activity against trypomastigotes of AT1 wild type Trypanosoma b... | 16759117 |
| Plasmodium falciparum | IC50 | = | 18.0 | nM | 7.75 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 22.0 | nM | 7.66 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 220.0 | nM | 6.66 | In vitro antitrypanosomal activity against Trypanosoma brucei rhodesiense | 15084128 |
| L6 | IC50 | = | 650.0 | nM | 6.19 | Cytotoxicity against rat L6 cells | 18247550 |
| Adrenergic receptor alpha-2 | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]RX821002 from adrenergic alpha2 receptor in human brain fron... | 17691718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16759117 | 10.1021/jm060295c | Trypanosoma brucei brucei | 3 |
| 18247550 | 10.1021/jm7013088 | Unchecked | 3 |
| 15084128 | 10.1021/jm031024u | L6 | 2 |
| 15084128 | 10.1021/jm031024u | Trypanosoma brucei rhodesiense | 1 |
| 16759117 | 10.1021/jm060295c | Nucleic Acid | 1 |
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 1 |
| 17336075 | 10.1016/j.bmc.2007.02.026 | No relevant target | 1 |
| 18247550 | 10.1021/jm7013088 | Plasmodium falciparum | 1 |
| 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