Compound Detail
CHEMBL217060
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Basic Information
| ChEMBL ID | CHEMBL217060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOYYAWFDWQGJIA-NRFANRHFSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.56
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.57 | 6.57 | 269.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 269.0 | nM | 6.57 | In vitro inhibition of DPP-4 | 17194587 |
| Dipeptidyl peptidase 2 | IC50 | = | 800.0 | nM | 6.1 | In vitro inhibition of DPP-II | 17194587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 4 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 2 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 8 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine