Compound Detail
CHEMBL226714
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
CN1CCN(C(=O)C2(NS(=O)(=O)c3ccc4c(Cl)cnc(N=C(N)N)c4c3)CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL226714 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHAPOCZPLRRWRN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
494.0
MW (Da)
1.16
ALogP
6
HBA
3
HBD
147.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 4.46 | 4.46 | 34700.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 4.19 | 4.19 | 65000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 1.4 | nM | 8.85 | Inhibition of human uPA | 17447747 |
| Tissue-type plasminogen activator | Ki | = | 34700.0 | nM | 4.46 | Inhibition of human tPA | 17447747 |
| Plasminogen | Ki | = | 65000.0 | nM | 4.19 | Inhibition of human plasmin | 17447747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17447747 | 10.1021/jm061066t | Urokinase-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Tissue-type plasminogen activator | 1 |
| 17447747 | 10.1021/jm061066t | Plasminogen | 1 |
Data from ChEMBL 36 via Core Engine