Compound Detail
CHEMBL393591
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Basic Information
| ChEMBL ID | CHEMBL393591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQQUIUGJIRPZPV-UHFFFAOYSA-N |
9
Targets
9
Activities
1
Assay Types
4
PK Parameters
12
Publications
0
Known Names
Molecular Properties
468.4
MW (Da)
4.57
ALogP
6
HBA
4
HBD
135.8
PSA (Ų)
0.21
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
| Urokinase-type plasminogen activator CHEMBL1075245 | IC50 | 7.71 | 7.71 | 19.5 | 1 |
| Urokinase-type plasminogen activator CHEMBL1075311 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Plasminogen CHEMBL3204 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Prothrombin CHEMBL204 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
| Plasminogen CHEMBL1075299 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Prothrombin CHEMBL1075308 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 336.0 | hr | - |
| T1/2 | 336.0 | hr | - |
| T1/2 | 120.0 | hr | - |
| T1/2 | 6.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 3.1 | nM | 8.51 | Inhibition of human uPA | 18052026 |
| Urokinase-type plasminogen activator | IC50 | = | 19.5 | nM | 7.71 | Inhibition of rat uPA | 18052026 |
| Urokinase-type plasminogen activator | IC50 | = | 32.0 | nM | 7.5 | Inhibition of mouse uPA | 18052026 |
| Plasminogen | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human plasmin | 18052026 |
| Plasminogen | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of rat plasmin | 18052026 |
| Prothrombin | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human thrombin | 18052026 |
| Tissue-type plasminogen activator | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of human recombinant tPA | 18052026 |
| Plasminogen | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of mouse plasmin | 18052026 |
| Prothrombin | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of mouse thrombin | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052026 | 10.1021/jm700962j | Rattus norvegicus | 12 |
| 18052026 | 10.1021/jm700962j | NON-PROTEIN TARGET | 10 |
| 18052026 | 10.1021/jm700962j | No relevant target | 5 |
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 4 |
| 18052026 | 10.1021/jm700962j | Unchecked | 3 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 3 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 3 |
| 30571121 | 10.1021/acs.jmedchem.8b01466 | ATP-dependent Clp protease proteolytic subunit | 2 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Coagulation factor X | 1 |
| 18052026 | 10.1021/jm700962j | ADMET | 1 |
| 18052026 | 10.1021/jm700962j | Plasma | 1 |
Data from ChEMBL 36 via Core Engine