Compound Detail
CHEMBL5287840
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
C[C@H](O)[C@H](NC(=O)N[C@@H](CC(N)=O)C(=O)NNC(=O)[C@@H](N)CO)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5287840 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NJASRIPIAOCWFU-TYQACLPBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.3
MW (Da)
-5.17
ALogP
8
HBA
9
HBD
246.2
PSA (Ų)
0.17
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL4523448 | EC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | EC50 | = | 30.0 | nM | 7.52 | Inhibition of PD-L1 in mouse splenocytes assessed as increase in INFgamma releas... | 31761384 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31761384 | 10.1016/j.ejmech.2019.111876 | CT26 | 1 |
| 31761384 | 10.1016/j.ejmech.2019.111876 | Programmed cell death 1 ligand 1 | 1 |
| 39026653 | 10.1039/d4md00202d | Splenocyte | 1 |
Data from ChEMBL 36 via Core Engine