Compound Detail
CHEMBL1085333
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Basic Information
| ChEMBL ID | CHEMBL1085333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XALSBOYXAPDLFK-STQMWFEESA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
0.07
ALogP
5
HBA
1
HBD
85.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.89 | 7.8133 | 13.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 13.0 | nM | 7.89 | Inhibition of DPP4 in presence of 50% human serum | 20483603 |
| Dipeptidyl peptidase 4 | IC50 | = | 14.0 | nM | 7.85 | Inhibition of DPP4 in presence of 50% rat serum | 20483603 |
| Dipeptidyl peptidase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of DPP4 | 20483603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 4 | 3 |
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Rattus norvegicus | 2 |
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 9 | 1 |
| 20483603 | 10.1016/j.bmcl.2010.04.124 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine