Compound Detail
CHEMBL70529
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CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCCCCN)[C@H]2C(=O)O)CC1)C(C)C
Basic Information
| ChEMBL ID | CHEMBL70529 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVURCMFOWGAIFU-MSOLQXFVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
2.36
ALogP
6
HBA
2
HBD
133.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase | IC50 | = | 32.0 | nM | 7.5 | Inhibitory activity of compound against human tryptase was determined | 15081014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081014 | 10.1016/j.bmcl.2004.02.011 | Tryptase | 1 |
Data from ChEMBL 36 via Core Engine