Compound Detail
CHEMBL5266711
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Basic Information
| ChEMBL ID | CHEMBL5266711 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVWFXRZTHLBYHT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
5.47
ALogP
4
HBA
1
HBD
56.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
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 | 7.75 | 7.705 | 18.0 | 2 |
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 7.66 | 7.66 | 22.0 | 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 | = | 18.0 | nM | 7.75 | Inhibition of human PD-1/PDL1 protein-protein interaction | 36126447 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human PD-1/PDL1 protein-protein interaction by HTRF assay | 36126447 |
| Programmed cell death 1 ligand 1 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human PD-L1 expressed in Escherichia coli BL21 (DE3) incubated for... | 38665838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36126447 | 10.1016/j.bmc.2022.117001 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 2 |
| 38665838 | 10.1039/d3md00655g | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine