Compound Detail
CHEMBL5613352
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Basic Information
| ChEMBL ID | CHEMBL5613352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRWUNSAXMWFWJE-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
514.7
MW (Da)
4.74
ALogP
7
HBA
3
HBD
96.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Kd 1 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| V-type immunoglobulin domain-containing suppressor of T-cell activation CHEMBL4523457 | Kd | 7.42 | 7.42 | 38.0 | 1 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | IC50 | 6.25 | 6.25 | 562.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| V-type immunoglobulin domain-containing suppressor of T-cell activation | Kd | = | 38.0 | nM | 7.42 | Binding affinity to human VISTA assessed as dissociation constant by SPR binding... | 39389791 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 562.4 | nM | 6.25 | Inhibition of Eu-tagged PD-1 (unknown origin)/C-terminal Fc fusion (human IgG1)/... | 39389791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39389791 | 10.1021/acs.jmedchem.4c01899 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
| 39389791 | 10.1021/acs.jmedchem.4c01899 | V-type immunoglobulin domain-containing suppressor of T-cell activation | 1 |
Data from ChEMBL 36 via Core Engine