Compound Detail
CHEMBL217001
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Basic Information
| ChEMBL ID | CHEMBL217001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRERLGSGIBCVRW-USWWRNFRSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
235.3
MW (Da)
1.41
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 97.0 | nM | 7.01 | Inhibition of human DPP4 expressed in Caco-2 cells | 17034148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine