Compound Detail
CHEMBL184487
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Basic Information
| ChEMBL ID | CHEMBL184487 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKNOPRISSXWHAU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.02
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 5.64 | 5.595 | 2300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2300.0 | nM | 5.64 | Inhibitory concentration against rat dipeptidyl peptidase IV | 15357972 |
| Dipeptidyl peptidase 4 | IC50 | = | 2800.0 | nM | 5.55 | Inhibitory concentration against rat dipeptidyl peptidase IV | 15357972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357972 | 10.1016/j.bmcl.2004.06.046 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine