Compound Detail
CHEMBL220249
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Basic Information
| ChEMBL ID | CHEMBL220249 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAWNZHPPZUPTMH-GWCFXTLKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.4
MW (Da)
2.69
ALogP
6
HBA
1
HBD
94.5
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.75 | 5.75 | 1790.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1790.0 | nM | 5.75 | Inhibition of DPP4 | 16919457 |
| Dipeptidyl peptidase 4 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of DPP4 | 18524582 |
| Dipeptidyl peptidase 2 | IC50 | = | 5200.0 | nM | 5.28 | 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 8 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 9 | 1 |
| 18524582 | 10.1016/j.bmcl.2008.05.061 | Dipeptidyl peptidase 4 | 1 |
| 18524582 | 10.1016/j.bmcl.2008.05.061 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine