Compound Detail
CHEMBL391331
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Basic Information
| ChEMBL ID | CHEMBL391331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXLCDEDRBBCWEN-RYUDHWBXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
269.4
MW (Da)
0.74
ALogP
4
HBA
1
HBD
35.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.32 | 7.32 | 47.6 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 7.13 | 7.13 | 74.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 47.6 | nM | 7.32 | Inhibition of DPP4 in human plasma by fluorescence assay | 17317162 |
| Dipeptidyl peptidase 4 | IC50 | = | 74.4 | nM | 7.13 | Inhibition of DPP4 in rat plasma by fluorescence assay | 17317162 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317162 | 10.1016/j.bmcl.2007.01.110 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine