Compound Detail
CHEMBL4288470
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CCCC[C@H]1C(=O)N(C)[C@@H](CCCC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(C(=O)NCC(N)=O)CSCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N2CCCC2C(=O)N[C@@H](CC(C)C)C(=O)NC(=O)N(C)CC(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL4288470 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZJXJFYDIUAMNK-VYDPUVBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1728.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of PD-L1 (unknown origin) | 30020783 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30020783 | 10.1021/acs.jmedchem.8b00541 | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine