Compound Detail
CHEMBL362600
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Basic Information
| ChEMBL ID | CHEMBL362600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTPDDFLFZXREMW-BQYQJAHWSA-N |
5
Targets
5
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
4.83
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| Kallikrein-1 CHEMBL2319 | Ki | 7.38 | 7.38 | 42.0 | 1 |
| Trypsin CHEMBL2366 | Ki | 7.08 | 7.08 | 84.0 | 1 |
| Plasminogen CHEMBL1801 | Ki | 6.56 | 6.56 | 277.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.4 | 6.4 | 395.0 | 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 | = | 10.0 | nM | 8.0 | Binding affinity value against urokinase plasminogen activator | 15582418 |
| Kallikrein-1 | Ki | = | 42.0 | nM | 7.38 | Binding affinity value against kallikrein | 15582418 |
| Trypsin | Ki | = | 84.0 | nM | 7.08 | Binding affinity value against trypsin | 15582418 |
| Plasminogen | Ki | = | 277.0 | nM | 6.56 | Binding affinity value against plasmin | 15582418 |
| Unchecked | Ki | = | 395.0 | nM | 6.4 | Binding affinity value against thrombin | 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