Compound Detail
CHEMBL539939
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Basic Information
| ChEMBL ID | CHEMBL539939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNQYULWVRDDPQS-KKUMJFAQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
312.4
MW (Da)
0.66
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.42 | 8.42 | 3.8 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.8 | nM | 8.42 | Inhibitory concentration against rat dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 5.5 | nM | 8.26 | Inhibitory concentration against human dipeptidylpeptidase IV | 15863294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863294 | 10.1016/j.bmcl.2005.03.077 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine