Compound Detail
CHEMBL5431490
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Basic Information
| ChEMBL ID | CHEMBL5431490 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQVCVWOVKYNWHK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
3.18
ALogP
4
HBA
2
HBD
86.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.72
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 | 5.72 | 5.72 | 1885.0 | 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 | = | 1885.0 | nM | 5.72 | Inhibition of europium-labeled PD-1/biotinylated PD-L1 interaction (unknown orig... | 36579489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36579489 | 10.1021/acs.jmedchem.2c01801 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine