Compound Detail
CHEMBL504823
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Basic Information
| ChEMBL ID | CHEMBL504823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYVBXTCIPLYEBG-NMAPHRJESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.2
MW (Da)
-1.60
ALogP
5
HBA
4
HBD
155.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human DPP4 expressed in baculovirus system | 18207285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15217282 | 10.1021/np030491b | Dipeptidyl peptidase 4 | 9 |
| 18207285 | 10.1016/j.ejmech.2007.11.014 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine