Compound Detail
CHEMBL404605
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 | CHEMBL404605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOSZGPBYQCNGKB-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
163.2
MW (Da)
1.55
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.04
IC50 3 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Trypanosoma brucei rhodesiense CHEMBL612348 | IC50 | 4.34 | 4.34 | 45700.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 4.04 | 4.04 | 90700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | IC50 | = | 9000.0 | nM | 5.05 | Antiplasmodial activity against Plasmodium falciparum K1 in [3H]hypoxanthine inc... | 18247550 |
| Trypanosoma brucei rhodesiense | IC50 | = | 45700.0 | nM | 4.34 | Antitrypanosomal activity against Trypanosoma brucei rhodesiense STIB900 | 18247550 |
| Urokinase-type plasminogen activator | Ki | = | 90700.0 | nM | 4.04 | Inhibition against Urokinase-type plasminogen activator | 2231595 |
| Urokinase-type plasminogen activator | Ki | = | 90782.05 | nM | 4.04 | log1/Ki value was calculated against Urokinase-type plasminogen activator | 2231595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2231595 | 10.1021/jm00173a008 | Urokinase-type plasminogen activator | 2 |
| 2231595 | 10.1021/jm00173a008 | Serine protease 1 | 2 |
| 2231595 | 10.1021/jm00173a008 | Plasminogen | 1 |
| 2231595 | 10.1021/jm00173a008 | Prothrombin | 1 |
| 2231595 | 10.1021/jm00173a008 | Tissue-type plasminogen activator | 1 |
| 2231595 | 10.1021/jm00173a008 | Plasma kallikrein | 1 |
| 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