Compound Detail
CHEMBL400615
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Basic Information
| ChEMBL ID | CHEMBL400615 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWZHZMDXCGTRIQ-AVGNSLFASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
0.05
ALogP
5
HBA
1
HBD
76.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4.8 | nM | 8.32 | Inhibition of human DPP4 | 17293118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17293118 | 10.1016/j.bmc.2007.01.041 | Dipeptidyl peptidase 4 | 3 |
Data from ChEMBL 36 via Core Engine