Compound Detail
CHEMBL1221918
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O=C(NC[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O)c1cccs1
Basic Information
| ChEMBL ID | CHEMBL1221918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXGJFIPAMGMMDP-OYKVQYDMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
537.4
MW (Da)
4.04
ALogP
6
HBA
5
HBD
136.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-L CHEMBL1803 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-L | IC50 | = | 1.4 | nM | 8.85 | Inhibition of LFA1 by ELISA | 20655213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20655213 | 10.1016/j.bmcl.2010.06.145 | Integrin alpha-L | 1 |
Data from ChEMBL 36 via Core Engine