Compound Detail
CHEMBL5401188
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Basic Information
| ChEMBL ID | CHEMBL5401188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKNHSXIGHFKIMY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.48
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 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 | 110.0 | 1 |
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 6.26 | 6.26 | 555.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.0 | 5.0 | 10050.0 | 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 | = | 110.0 | nM | 6.96 | Inhibition of Ig-tagged PD-1 (unknown origin)/His-tagged PD-L1 (unknown origin) ... | 38442487 |
| Programmed cell death 1 ligand 1 | IC50 | = | 555.0 | nM | 6.26 | Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay: All binding studies ... | - |
| Unchecked | IC50 | = | 10050.0 | nM | 5.0 | Homogenous Time-Resolved Fluorescence (HTRF) Binding Assay: The interaction of P... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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