Compound Detail
CHEMBL219278
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Basic Information
| ChEMBL ID | CHEMBL219278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMQCAQFICFMPFV-HZMBPMFUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
1.33
ALogP
7
HBA
1
HBD
119.4
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 43.0 | nM | 7.37 | Inhibition of DPP4 | 16919457 |
| Dipeptidyl peptidase 2 | IC50 | = | 14100.0 | nM | 4.85 | Inhibition of QPP | 16919457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 4 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 2 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 9 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 8 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine