Compound Detail
CHEMBL1761773
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CC1(C)C(/C=C/C=C/C=C/C=C2/N(CCC(=O)N[C@H]3CSSC[C@@H](C(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC3=O)c3ccc4ccccc4c3C2(C)C)=[N+](CCC(=O)O)c2ccc3ccccc3c21
Basic Information
| ChEMBL ID | CHEMBL1761773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IKOXJFTVLXNVJZ-IWWWZYECSA-O |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1157.4
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 CHEMBL1907598 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-V/beta-3 | IC50 | = | 4600.0 | nM | 5.34 | Displacement of [125I]echistatin from human integrin alpha5beta3 expressed in hu... | 21349709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21349709 | 10.1016/j.bmcl.2011.01.133 | Integrin alpha-V/beta-3 | 1 |
| 21349709 | 10.1016/j.bmcl.2011.01.133 | A549 | 1 |
Data from ChEMBL 36 via Core Engine