Compound Detail
CHEMBL427219
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Basic Information
| ChEMBL ID | CHEMBL427219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VJUQFPMKSWQOBY-GJZGRUSLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
1.37
ALogP
3
HBA
1
HBD
52.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.89 | 6.89 | 129.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.72 | 4.72 | 19250.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 4.71 | 4.71 | 19478.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 129.0 | nM | 6.89 | Inhibition of DPP4 | 16581245 |
| Dipeptidyl peptidase 2 | IC50 | = | 19250.0 | nM | 4.72 | Inhibition of DPP2 | 16581245 |
| Prolyl endopeptidase FAP | IC50 | = | 19478.0 | nM | 4.71 | Inhibition of FAP | 16581245 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 4 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 8 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Dipeptidyl peptidase 2 | 1 |
| 16581245 | 10.1016/j.bmcl.2006.03.037 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine