Compound Detail
CHEMBL221248
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
COc1cc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(I)cc4)N=C3C)cc2)nc(OC)n1
Basic Information
| ChEMBL ID | CHEMBL221248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYEZXTMIKHBBGX-UYRXBGFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
620.4
MW (Da)
3.62
ALogP
9
HBA
2
HBD
135.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 4.27 | 4.27 | 53500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 53500.0 | nM | 4.27 | Inhibition of integrin alphavbeta3 mediated cell adhesion of human M21 cells to ... | 16982193 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16982193 | 10.1016/j.bmcl.2006.08.061 | Integrin alpha-V/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine