Compound Detail
CHEMBL213514
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Basic Information
| ChEMBL ID | CHEMBL213514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKTCJMIKUGTYBI-YADHBBJMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
400.0
MW (Da)
3.77
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 7.33 | 7.33 | 46.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 46.5 | nM | 7.33 | Inhibition of DPP2 | 16844373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 4 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 2 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 8 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine