Compound Detail
CHEMBL402111
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 | CHEMBL402111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNXIDRNLXWGVNW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.4
MW (Da)
3.68
ALogP
5
HBA
2
HBD
76.2
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.25 | 6.25 | 559.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 559.0 | nM | 6.25 | Inhibition of DPP4 in human Caco-2 cells after 1 hr | 18485703 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18485703 | 10.1016/j.bmcl.2008.04.075 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine