Compound Detail
CHEMBL5555873
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5555873 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSNBCUUKHWFKAO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
2.29
ALogP
4
HBA
2
HBD
70.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 6.97 | 6.97 | 108.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1668.51 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 587.33 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1.207 | ug.mL-1 | Rattus norvegicus |
| T1/2 | 2.73 | hr | Rattus norvegicus |
| Tmax | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | IC50 | = | 108.0 | nM | 6.97 | Inhibition of exosomal PD-L1 (unknown origin) generation preincubated with compo... | 38367489 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38367489 | 10.1016/j.ejmech.2024.116182 | MFC | 13 |
| 38367489 | 10.1016/j.ejmech.2024.116182 | ADMET | 11 |
| 38367489 | 10.1016/j.ejmech.2024.116182 | MGC-803 | 8 |
| 38367489 | 10.1016/j.ejmech.2024.116182 | Unchecked | 3 |
| 38367489 | 10.1016/j.ejmech.2024.116182 | Programmed cell death 1 ligand 1 | 1 |
| 38367489 | 10.1016/j.ejmech.2024.116182 | T-cell | 1 |
Data from ChEMBL 36 via Core Engine