Compound Detail
CHEMBL9441
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL9441 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RHTGPDGIQRRWHO-UHFFFAOYSA-N |
4
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.78
ALogP
4
HBA
2
HBD
36.4
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.77
EC50 1 meas. best 4.34
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.07 | 7.07 | 85.1 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Adrenergic receptor alpha-2 CHEMBL2095158 | EC50 | 4.34 | 4.34 | 45300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 85.11 | nM | 7.07 | Displacement of [3H]RX821002 from alpha2 adrenergic receptor in human brain pref... | 18459731 |
| Plasmodium falciparum | IC50 | = | 1700.0 | nM | 5.77 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 7300.0 | nM | 5.14 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Adrenergic receptor alpha-2 | EC50 | = | 45300.0 | nM | 4.34 | Agonist activity at human brain adrenergic alpha2 receptor by [35S]GTPgammaS bin... | 17691718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17691718 | 10.1021/jm070229q | Adrenergic receptor alpha-2 | 2 |
| 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