Compound Detail
CHEMBL4862360
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C[C@@](CO)(NCc1cc(Cl)c(O[C@H]2CCc3c(-c4cccc5c4CC[C@@H]5Oc4nc(OCc5cncc(S(C)(=O)=O)c5)c(CN[C@@](C)(CO)C(=O)O)cc4Cl)cccc32)nc1OCc1cncc(S(C)(=O)=O)c1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4862360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEIPLKPBHPNHCD-JIUQEAKESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1122.1
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 10.24
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 | 10.24 | 10.24 | 0.1 | 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 | = | 0.058 | nM | 10.24 | Inhibition of PD1/PD-L1 (unknown origin) | 34481337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34481337 | 10.1016/j.bmc.2021.116370 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine