Compound Detail
CHEMBL5421985
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Basic Information
| ChEMBL ID | CHEMBL5421985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKDDUCBAVDZCKF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.61
ALogP
6
HBA
2
HBD
83.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.41
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 | 8.41 | 8.41 | 3.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.853 | hr | Homo sapiens |
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 | = | 3.9 | nM | 8.41 | Inhibition of PD-1/PD-L1 (unknown origin) protein-protein interaction incubated ... | 37596975 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37596975 | 10.1021/acs.jmedchem.3c00264 | T-cell | 8 |
| 37596975 | 10.1021/acs.jmedchem.3c00264 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
| 37596975 | 10.1021/acs.jmedchem.3c00264 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine