Compound Detail
CHEMBL225210
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Basic Information
| ChEMBL ID | CHEMBL225210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIRIFWIKLRTNMB-DYVFJYSZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
392.4
MW (Da)
2.72
ALogP
4
HBA
1
HBD
64.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 8.49 | 8.32 | 3.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 3.2 | nM | 8.49 | Inhibition of dipeptidyl peptidase 4 (unknown origin) | - |
| Dipeptidyl peptidase 4 | Ki | = | 7.1 | nM | 8.15 | Inhibition of human DPP4 | 17367123 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17367123 | 10.1021/jm061436d | Dipeptidyl peptidase 4 | 1 |
| - | 10.1007/s00044-012-0455-6 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine