Compound Detail
CHEMBL251376
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Basic Information
| ChEMBL ID | CHEMBL251376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDEXEPZGMKFCTG-WCBMZHEXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.58
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.56 | 6.56 | 274.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.14 | 4.14 | 72000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 274.0 | nM | 6.56 | Inhibition of DPP4 | 17827003 |
| Dipeptidyl peptidase 2 | IC50 | = | 72000.0 | nM | 4.14 | Inhibition of QPP | 17827003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 4 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 8 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 9 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine