Compound Detail
CHEMBL386694
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CCOC(C)SCC(=O)NCC(CCC(=O)NCCCC[C@H]1NC(=O)c2cccc(c2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N(C)C1=O)NC(=O)CSC(C)OCC.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL386694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LLTBCYJEUHQCNA-JXSKLACJSA-N |
| Parent Compound | CHEMBL1185067 |
| Active Moiety | CHEMBL1185067 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1010.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 CHEMBL2093869 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Integrin alpha-IIb/beta-3 | IC50 | = | 11.0 | nM | 7.96 | Inhibition of 125I-fibrinogen binding to alpha IIb beta-3 integrin as inhibition... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00083-8 | Integrin alpha-IIb/beta-3 | 1 |
Data from ChEMBL 36 via Core Engine