Compound Detail
CHEMBL5416096
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O=C(O)[C@@H]1CCN(Cc2cnc3c(N4CCc5c(-c6ccccc6)cccc54)nccc3c2)C1
Basic Information
| ChEMBL ID | CHEMBL5416096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSISXJRVAJPIDY-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
4.90
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.17
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 | 7.17 | 7.17 | 67.9 | 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 | = | 67.9 | nM | 7.17 | 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 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine