Compound Detail
CHEMBL182460
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Basic Information
| ChEMBL ID | CHEMBL182460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALVYBVAQSFMTGH-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
5.79
ALogP
2
HBA
2
HBD
62.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 6.85 | 6.85 | 142.0 | 1 |
| Trypsin CHEMBL2366 | Ki | 6.78 | 6.78 | 165.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 6.47 | 6.47 | 336.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 6.02 | 6.02 | 955.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 5.67 | 5.67 | 2124.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | Ki | 5.15 | 5.15 | 7038.0 | 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 |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | Ki | = | 142.0 | nM | 6.85 | Binding affinity value against urokinase plasminogen activator | 15582418 |
| Trypsin | Ki | = | 165.0 | nM | 6.78 | Binding affinity value against trypsin | 15582418 |
| Kallikrein-1 | Ki | = | 336.0 | nM | 6.47 | Binding affinity value against kallikrein | 15582418 |
| Plasminogen | Ki | = | 955.0 | nM | 6.02 | Binding affinity value against plasmin | 15582418 |
| Unchecked | Ki | = | 2124.0 | nM | 5.67 | Binding affinity value against thrombin | 15582418 |
| Tissue-type plasminogen activator | Ki | = | 7038.0 | nM | 5.15 | 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