Compound Detail
CHEMBL381806
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Basic Information
| ChEMBL ID | CHEMBL381806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OEVYDSSAPNIURZ-AEFFLSMTSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
1.52
ALogP
3
HBA
2
HBD
89.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.64 | 7.64 | 23.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of DPP4 by continuous fluorimetric assay | 16376544 |
| Dipeptidyl peptidase 4 | IC50 | = | 23.0 | nM | 7.64 | Binding affinity to DPP4 | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16376544 | 10.1016/j.bmcl.2005.11.103 | Dipeptidyl peptidase 4 | 2 |
| 18457385 | 10.1021/jm8000373 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine