Compound Detail
CHEMBL5282504
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CCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)N(C)C[C@H](Cc2ccccc2)NC(=O)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)C(C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)CN(C)CN(C)C1=O
Basic Information
| ChEMBL ID | CHEMBL5282504 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWWVMJTZFPMVQB-WNTFDPAXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1811.2
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 153.0 | nM | 6.82 | Inhibition of human PD-1/PD-L1 interaction | 31761384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761384 | 10.1016/j.ejmech.2019.111876 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine