Compound Detail
CHEMBL399411
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Basic Information
| ChEMBL ID | CHEMBL399411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GEMKNHBZBCPKAL-FCESLPICSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.19
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 5.85 | 5.85 | 1420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 1420.0 | nM | 5.85 | Inhibition of human DPP4 | 17937986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17937986 | 10.1016/j.bmcl.2007.09.090 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine