Compound Detail
CHEMBL5177805
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Basic Information
| ChEMBL ID | CHEMBL5177805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGUOGUFWHCKXAA-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
271.7
MW (Da)
2.88
ALogP
3
HBA
0
HBD
45.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.48
Kd 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | Kd | 4.57 | 4.57 | 27000.0 | 1 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | Kd | = | 27000.0 | nM | 4.57 | Binding affinity towards His-tagged recombinant human PD-L1 measured by MicroSca... | 35429911 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of human PD-1/PD-L1 interaction in CHO-K1 cells transfected with PD-1... | 35429911 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35429911 | 10.1016/j.ejmech.2022.114343 | Programmed cell death 1 ligand 1 | 1 |
| 35429911 | 10.1016/j.ejmech.2022.114343 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine