Compound Detail
CHEMBL382847
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Basic Information
| ChEMBL ID | CHEMBL382847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNPMGDQJVLSBMO-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
1.08
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.43 | 6.43 | 369.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.26 | 5.26 | 5532.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.46 | 4.46 | 34444.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 369.0 | nM | 6.43 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 5532.0 | nM | 5.26 | Inhibitory activity against DPP8 | 16392822 |
| Dipeptidyl peptidase 2 | IC50 | = | 34444.0 | nM | 4.46 | Inhibitory activity against DPP2 | 16392822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 4 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 8 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine