Compound Detail
CHEMBL1269186
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
Cc1ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@@H](NC(=O)c2ccc(OCc3ccccc3)cc2)[C@@H](C)O)cc1
Basic Information
| ChEMBL ID | CHEMBL1269186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBXMNEJMZXOASZ-DJDPXSJISA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
593.7
MW (Da)
4.49
ALogP
5
HBA
4
HBD
116.8
PSA (Ų)
0.17
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.7 | 7.31 | 20.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 20.0 | nM | 7.7 | Inhibition of chymotrypsin-like activity of human 20s proteasome beta5 subunit i... | 20875739 |
| Unchecked | IC50 | = | 120.0 | nM | 6.92 | Inhibition of TNF-alpha-induced NF-kappaB activation in human HEK293 cells after... | 20875739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Unchecked | 7 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Cathepsin B | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Procathepsin L | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Coagulation factor XII | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Plasminogen | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Prothrombin | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Tissue-type plasminogen activator | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Trypsin | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | Calpain-1 catalytic subunit | 1 |
| 20875739 | 10.1016/j.bmcl.2010.09.032 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine