Compound Detail
CHEMBL1221972
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(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CNC(=O)c4cccs4)C(=O)O)c3Cl)C2)cc1
Basic Information
| ChEMBL ID | CHEMBL1221972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHTHCCFWRKLUOC-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
560.5
MW (Da)
4.17
ALogP
5
HBA
3
HBD
115.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 CHEMBL2096661 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Integrin alpha-L CHEMBL1803 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of LFA1/ICAM1 interaction in human Hut-78 cells by cell migration ass... | 20655213 |
| Integrin alpha-L | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of LFA1-mediated Staphylococcal enterotoxin B-stimulated human T cell... | 20655213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20655213 | 10.1016/j.bmcl.2010.06.145 | Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 | 1 |
| 20655213 | 10.1016/j.bmcl.2010.06.145 | Integrin alpha-L | 1 |
Data from ChEMBL 36 via Core Engine