Compound Detail
CHEMBL2022464
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Basic Information
| ChEMBL ID | CHEMBL2022464 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCJJNURFVMXJPE-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
1.88
ALogP
6
HBA
2
HBD
103.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.86 | 7.86 | 13.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 13.78 | nM | 7.86 | 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