Compound Detail
CHEMBL70155
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CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCNCC3)[C@H]2C(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL70155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSVQYWPWPKKKLA-CABCVRRESA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
0.53
ALogP
5
HBA
3
HBD
122.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Serine protease 1 CHEMBL209 | IC50 | 7.21 | 7.21 | 62.0 | 1 |
| Plasminogen CHEMBL3204 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| Serine protease 1 CHEMBL3769 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase | IC50 | = | 30.0 | nM | 7.52 | Inhibitory activity against human tryptase | 15081015 |
| Urokinase-type plasminogen activator | IC50 | = | 34.0 | nM | 7.47 | Inhibitory activity against Urokinase-type plasminogen activator | 15081015 |
| Serine protease 1 | IC50 | = | 62.0 | nM | 7.21 | Inhibitory activity against trypsin | 15081015 |
| Plasminogen | IC50 | = | 250.0 | nM | 6.6 | Inhibitory activity against plasmin | 15081015 |
| Serine protease 1 | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity against bovine trypsin | 15081015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Serine protease 1 | 2 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Tryptase | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Unchecked | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Prothrombin | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Plasminogen | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Coagulation factor X | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Urokinase-type plasminogen activator | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine