Compound Detail
CHEMBL459438
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Basic Information
| ChEMBL ID | CHEMBL459438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVIKRKVTPIEUAJ-RQJHMYQMSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
172.2
MW (Da)
-0.68
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.47
Ki 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 5.31 | 5.31 | 4900.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.47 | 4.47 | 34200.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.01 | 4.01 | 98000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 4900.0 | nM | 5.31 | In vitro test for inhibitory activity against human dipeptidyl peptidase IV. | - |
| Dipeptidyl peptidase 9 | IC50 | = | 34200.0 | nM | 4.47 | Inhibition of DPP9 | 18556199 |
| Dipeptidyl peptidase 8 | IC50 | = | 41000.0 | nM | 4.39 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 4 | IC50 | = | 98000.0 | nM | 4.01 | Inhibition of DPP4 | 18556199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00190-4 | Dipeptidyl peptidase 4 | 1 |
| 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