Compound Detail
CHEMBL1651765
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Basic Information
| ChEMBL ID | CHEMBL1651765 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DULMDLBMVWELFG-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
433.5
MW (Da)
3.32
ALogP
7
HBA
1
HBD
87.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.05 | 7.05 | 88.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 88.82 | nM | 7.05 | Inhibition of DPP4 after 20 mins by fluorescence assay | 21106276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21106276 | 10.1016/j.ejmech.2010.10.016 | Dipeptidyl peptidase 4 | 1 |
| 21106276 | 10.1016/j.ejmech.2010.10.016 | Dipeptidyl peptidase 8 | 1 |
| 21106276 | 10.1016/j.ejmech.2010.10.016 | Dipeptidyl peptidase 9 | 1 |
| 21106276 | 10.1016/j.ejmech.2010.10.016 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine