Compound Detail
CHEMBL70917
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CCCC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCNCC3)[C@H]2C(=O)O)CC1)Nc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL70917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCCFVFLUYLVNMZ-OFNKIYASSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
1.36
ALogP
6
HBA
3
HBD
139.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tryptase CHEMBL2095193 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
| Serine protease 1 CHEMBL3769 | IC50 | 5.87 | 5.87 | 1350.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tryptase | IC50 | = | 12.0 | nM | 7.92 | Inhibitory activity against human tryptase | 15081015 |
| Serine protease 1 | IC50 | = | 1350.0 | nM | 5.87 | Inhibitory activity against bovine trypsin | 15081015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Tryptase | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Serine protease 1 | 1 |
| 15081015 | 10.1016/j.bmcl.2004.02.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine