Compound Detail
CHEMBL184651
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Basic Information
| ChEMBL ID | CHEMBL184651 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNYVGGJJENHRBZ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
0.07
ALogP
7
HBA
2
HBD
117.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.85 | 6.62 | 140.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 6.31 | 6.165 | 490.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 6.11 | 6.105 | 780.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 140.0 | nM | 6.85 | Inhibition of human DPP4 | 19217790 |
| Dipeptidyl peptidase 4 | IC50 | = | 410.0 | nM | 6.39 | Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay | 15357972 |
| Dipeptidyl peptidase 4 | IC50 | = | 490.0 | nM | 6.31 | Inhibition of pig kidney DPP4 | 19217790 |
| Dipeptidyl peptidase 4 | IC50 | = | 780.0 | nM | 6.11 | Inhibition of DPP4 in rat plasma | 19217790 |
| Dipeptidyl peptidase 4 | IC50 | = | 800.0 | nM | 6.1 | Inhibitory concentration against rat dipeptidyl peptidase IV | 15357972 |
| Dipeptidyl peptidase 4 | IC50 | = | 960.0 | nM | 6.02 | Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney | 15357972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357972 | 10.1016/j.bmcl.2004.06.046 | Dipeptidyl peptidase 4 | 4 |
| 19217790 | 10.1016/j.bmc.2009.01.061 | Dipeptidyl peptidase 4 | 3 |
| 30001846 | 10.1016/j.bmc.2018.07.005 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine