Compound Detail
CHEMBL5597887
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Basic Information
| ChEMBL ID | CHEMBL5597887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRTZBRFGKKTVSO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
2.58
ALogP
7
HBA
4
HBD
107.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
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 | 6.96 | 6.96 | 109.0 | 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 | = | 109.0 | nM | 6.96 | Inhibition of human PD-1/PD-L1 interaction incubated for 1 hr by HTRF assay | 38996937 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38996937 | 10.1016/j.bmcl.2024.129882 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 2 |
Data from ChEMBL 36 via Core Engine