Compound Detail
CHEMBL5398154
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
Cc1c(COc2cc(OCc3cncc(C#N)c3)c(CN3CCCC[C@H]3C(=O)O)cc2Cl)cccc1-c1cccc(OCCCN2CCC(O)CC2)c1C
Basic Information
| ChEMBL ID | CHEMBL5398154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDKPFVAEXSRQOY-KDXMTYKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
753.3
MW (Da)
7.71
ALogP
9
HBA
2
HBD
128.4
PSA (Ų)
0.12
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 9.32 | 9.32 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | IC50 | = | 0.48 | nM | 9.32 | Inhibition of PD-L1 (unknown origin) by HTRF assay | 38665838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38665838 | 10.1039/d3md00655g | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine