Compound Detail
CHEMBL4782871
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CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4782871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRMJQRBKRCNCQN-APOYTGFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1156.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.09
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 | 5.09 | 5.09 | 8100.0 | 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 | = | 8100.0 | nM | 5.09 | Inhibition of PD1-Tag2/PD-L1-Tag1 (unknown origin) protein-protein interaction p... | 32844651 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32844651 | 10.1021/acs.jmedchem.0c01262 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 2 |
Data from ChEMBL 36 via Core Engine