Compound Detail
CHEMBL382531
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Basic Information
| ChEMBL ID | CHEMBL382531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSMDMFVYXQVQCE-MXWKQRLJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
1.41
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 6.3 | 6.3 | 504.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 504.0 | nM | 6.3 | Inhibitory constant against Dipeptidylpeptidase IV activity | 16115768 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16115768 | 10.1016/j.bmcl.2005.07.026 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine