Compound Detail
CHEMBL4638793
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N=C(N)NCc1ccc(OCCOCCOCCOCCOCCOCCOCCn2cc(COc3c(I)cc(Oc4c(I)cc(CC(=O)O)cc4I)cc3I)nn2)cc1
Basic Information
| ChEMBL ID | CHEMBL4638793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVWARFPIVDNTDK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1284.5
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 7.99 | 7.99 | 10.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 10.3 | nM | 7.99 | Binding affinity to purified integrin alphaVbeta3 receptor (unknown origin) incu... | 32571015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32571015 | 10.1021/acs.jmedchem.0c00537 | SK-N-FI | 10 |
| 32571015 | 10.1021/acs.jmedchem.0c00537 | Integrin alpha-V/beta-3 | 2 |
| 32571015 | 10.1021/acs.jmedchem.0c00537 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine