Compound Detail
CHEMBL391968
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CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(NC(=N)N)cc2)NC(=O)OCc2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL391968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZZJIIDXFNEDSI-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
658.6
MW (Da)
6.05
ALogP
8
HBA
6
HBD
194.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
| Prothrombin CHEMBL204 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Plasminogen CHEMBL1801 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
| Tissue-type plasminogen activator CHEMBL1873 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Coagulation factor X CHEMBL244 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Urokinase-type plasminogen activator | IC50 | = | 4.2 | nM | 8.38 | Inhibition of human uPA | 18052026 |
| Prothrombin | IC50 | = | 390.0 | nM | 6.41 | Inhibition of human thrombin | 18052026 |
| Plasminogen | IC50 | = | 900.0 | nM | 6.05 | Inhibition of human plasmin | 18052026 |
| Tissue-type plasminogen activator | IC50 | = | 7000.0 | nM | 5.16 | Inhibition of human recombinant tPA | 18052026 |
| Coagulation factor X | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of factor 10a | 18052026 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052026 | 10.1021/jm700962j | Unchecked | 4 |
| 18052026 | 10.1021/jm700962j | Urokinase-type plasminogen activator | 2 |
| 18052026 | 10.1021/jm700962j | Tissue-type plasminogen activator | 1 |
| 18052026 | 10.1021/jm700962j | Plasminogen | 1 |
| 18052026 | 10.1021/jm700962j | Prothrombin | 1 |
| 18052026 | 10.1021/jm700962j | Coagulation factor X | 1 |
Data from ChEMBL 36 via Core Engine