Compound Detail
CHEMBL461289
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Basic Information
| ChEMBL ID | CHEMBL461289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJVGPMCJHIUBCD-QMMMGPOBSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
227.3
MW (Da)
-0.80
ALogP
3
HBA
4
HBD
108.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase 9 | IC50 | = | 10900.0 | nM | 4.96 | Inhibition of DPP9 | 18556199 |
| Dipeptidyl peptidase 4 | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of DPP4 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine