Compound Detail
CHEMBL430286
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Basic Information
| ChEMBL ID | CHEMBL430286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MENZUKGXKJRRNB-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
3.21
ALogP
4
HBA
2
HBD
36.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.62 | 6.62 | 239.9 | 1 |
| Prostacyclin receptor CHEMBL1995 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| L6 CHEMBL614793 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 239.88 | nM | 6.62 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Prostacyclin receptor | Ki | = | 794.33 | nM | 6.1 | Binding affinity towards prostacyclin receptor on rat NG-108-15 neuroblastoma ce... | 15013022 |
| Plasmodium falciparum | IC50 | = | 1200.0 | nM | 5.92 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 1900.0 | nM | 5.72 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| L6 | IC50 | = | 28500.0 | nM | 4.54 | Cytotoxicity against rat L6 cells | 18247550 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15013022 | 10.1016/j.bmcl.2003.10.070 | Prostacyclin receptor | 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