Compound Detail
CHEMBL1083031
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Basic Information
| ChEMBL ID | CHEMBL1083031 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJZCHOOEZHNNNK-CRWXNKLISA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
0.57
ALogP
5
HBA
1
HBD
85.7
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.3 | 5.3 | 5040.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.74 | 4.74 | 18240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 24.0 | nM | 7.62 | Inhibition of DPP4 | 20488702 |
| Dipeptidyl peptidase 9 | IC50 | = | 5040.0 | nM | 5.3 | Inhibition of DPP9 | 20488702 |
| Dipeptidyl peptidase 8 | IC50 | = | 18240.0 | nM | 4.74 | Inhibition of DPP8 | 20488702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 4 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 8 | 1 |
| 20488702 | 10.1016/j.bmcl.2010.04.120 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine