Compound Detail
CHEMBL183021
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 | CHEMBL183021 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APXAIXPMIFECKD-OZAIVSQSSA-N |
6
Targets
6
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
381.5
MW (Da)
5.40
ALogP
2
HBA
2
HBD
62.2
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypsin CHEMBL2366 | Ki | 7.52 | 7.52 | 30.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 7.19 | 7.19 | 65.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 6.19 | 6.19 | 640.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.75 | 5.75 | 1790.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.98 | 4.98 | 10430.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | - | uM.hr | Rattus norvegicus |
| F | - | % | Rattus norvegicus |
| T1/2 | - | hr | Rattus norvegicus |
| Vd | - | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypsin | Ki | = | 30.0 | nM | 7.52 | Binding affinity value against trypsin | 15582418 |
| Urokinase-type plasminogen activator | Ki | = | 65.0 | nM | 7.19 | Binding affinity value against urokinase plasminogen activator | 15582418 |
| Kallikrein-1 | Ki | = | 640.0 | nM | 6.19 | Binding affinity value against kallikrein | 15582418 |
| Plasminogen | Ki | = | 1480.0 | nM | 5.83 | Binding affinity value against plasmin | 15582418 |
| Unchecked | Ki | = | 1790.0 | nM | 5.75 | Binding affinity value against thrombin | 15582418 |
| Tissue-type plasminogen activator | Ki | = | 10430.0 | nM | 4.98 | Binding affinity value against Tissue plasminogen activator | 15582418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15582418 | 10.1016/j.bmcl.2004.10.026 | ADMET | 5 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Urokinase-type plasminogen activator | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Tissue-type plasminogen activator | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Unchecked | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Plasminogen | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Kallikrein-1 | 1 |
| 15582418 | 10.1016/j.bmcl.2004.10.026 | Trypsin | 1 |
Data from ChEMBL 36 via Core Engine