Compound Detail
CHEMBL459159
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 | CHEMBL459159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | INFUKHMAOAPBIJ-LURJTMIESA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
174.3
MW (Da)
-0.13
ALogP
3
HBA
2
HBD
46.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.21 | 4.21 | 62400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase 4 | IC50 | = | 37000.0 | nM | 4.43 | Inhibition of DPP4 | 18556199 |
| Dipeptidyl peptidase 9 | IC50 | = | 62400.0 | nM | 4.21 | Inhibition of DPP9 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine