Compound Detail
CHEMBL43961
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 | CHEMBL43961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUNFWMWQNWQIFS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
203.2
MW (Da)
2.01
ALogP
1
HBA
3
HBD
61.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor CHEMBL2094132 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 5.19 | 5.19 | 6486.3 | 2 |
| Serine protease 1 CHEMBL3769 | Ki | 4.2 | 4.2 | 63095.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serotonin 3 (5-HT3) receptor | Ki | = | 230.0 | nM | 6.64 | Binding affinity to 5-HT3 serotonin receptor in NG 108-15 neuroblastoma glioma c... | 11412989 |
| Urokinase-type plasminogen activator | Ki | = | 6490.0 | nM | 5.19 | Inhibition against Urokinase-type plasminogen activator | 2231595 |
| Urokinase-type plasminogen activator | Ki | = | 6486.34 | nM | 5.19 | log1/Ki value was calculated against Urokinase-type plasminogen activator | 2231595 |
| Serine protease 1 | Ki | = | 63100.0 | nM | 4.2 | Inhibition against Trypsin | 2231595 |
| Serine protease 1 | Ki | = | 63095.73 | nM | 4.2 | log1/Ki value was calculated against Trypsin | 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 |
| 11412989 | 10.1016/s0960-894x(01)00291-8 | Serotonin 3 (5-HT3) receptor | 1 |
| 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 |
Data from ChEMBL 36 via Core Engine