Compound Detail
CHEMBL2023066
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Basic Information
| ChEMBL ID | CHEMBL2023066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEXHMVRTCMQTTN-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
2.63
ALogP
7
HBA
2
HBD
116.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.63 | 8.63 | 2.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.34 | nM | 8.63 | Inhibition of human DPP4 after 10 mins | 22475866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Caco-2 | 3 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Unchecked | 2 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Dipeptidyl peptidase 9 | 1 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Dipeptidyl peptidase 8 | 1 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Dipeptidyl peptidase 4 | 1 |
| 22475866 | 10.1016/j.ejmech.2012.03.015 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine