Compound Detail
CHEMBL5412235
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Basic Information
| ChEMBL ID | CHEMBL5412235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUQFOTOMLHSZIN-KPKJPENVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
2.03
ALogP
4
HBA
0
HBD
73.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.39
Ki 1 meas. best 9.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | Ki | 9.71 | 9.71 | 0.2 | 1 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 CHEMBL4523993 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | Ki | = | 0.195 | nM | 9.71 | Inhibition of [89Zr]Zr-atezolizumab binding from human PD-L1 transfected in CHO ... | 38442487 |
| Programmed cell death protein 1/Programmed cell death 1 ligand 1 | IC50 | = | 4.1 | nM | 8.39 | Inhibition of PD-1 binding to human PD-L1 by HTRF assay | 38442487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38442487 | 10.1021/acs.jmedchem.3c02342 | Programmed cell death 1 ligand 1 | 2 |
| 38442487 | 10.1021/acs.jmedchem.3c02342 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine