Compound Detail
CHEMBL72279
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CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCNCC3)[C@H]2C(=O)O)CC1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL72279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LICYULLQPIZDET-MSOLQXFVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
466.6
MW (Da)
1.84
ALogP
6
HBA
2
HBD
119.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Serine protease 1 CHEMBL209 | IC50 | 6.03 | 6.03 | 935.0 | 1 |
| Plasminogen CHEMBL3204 | IC50 | 5.21 | 5.21 | 6220.0 | 1 |
| Urokinase-type plasminogen activator CHEMBL3286 | IC50 | 5.16 | 5.16 | 6999.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase | IC50 | = | 29.0 | nM | 7.54 | Inhibitory activity of compound against human tryptase was determined | 15081014 |
| Serine protease 1 | IC50 | = | 935.0 | nM | 6.03 | Inhibitory activity of compound against Trypsin was determined | 15081014 |
| Plasminogen | IC50 | = | 6220.0 | nM | 5.21 | Inhibitory activity of compound against Plasmin was determined | 15081014 |
| Urokinase-type plasminogen activator | IC50 | = | 6999.0 | nM | 5.16 | Inhibitory activity of compound against Urokinase-type plasminogen activator was... | 15081014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Unchecked | 6 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Tryptase | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Serine protease 1 | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Prothrombin | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Coagulation factor X | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Plasminogen | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Urokinase-type plasminogen activator | 1 |
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Tissue-type plasminogen activator | 1 |
Data from ChEMBL 36 via Core Engine