Compound Detail
CHEMBL382127
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Basic Information
| ChEMBL ID | CHEMBL382127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJWOFBVBNFLWLP-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
175.3
MW (Da)
2.46
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.48 | 4.4267 | 33000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 30000.0 | nM | 4.52 | Inhibition of DPP4 by continuous fluorimetric assay | 16376544 |
| Dipeptidyl peptidase 4 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of DPP4 by continuous fluorimetric assay | 16376544 |
| Dipeptidyl peptidase 4 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of DPP4 | 16321524 |
| Dipeptidyl peptidase 4 | IC50 | = | 40000.0 | nM | 4.4 | Binding affinity to DPP4 | 18457385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16321524 | 10.1016/j.bmcl.2005.11.038 | Dipeptidyl peptidase 4 | 2 |
| 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