Compound Detail
CHEMBL2147705
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Basic Information
| ChEMBL ID | CHEMBL2147705 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VRTJIZXTIAZUOX-ROUUACIJSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.6
MW (Da)
1.11
ALogP
8
HBA
1
HBD
79.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 8.54 | 8.54 | 2.9 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.9 | nM | 8.54 | Inhibition of DPP4 in rat plasma using GLY-Pro-MCA as substrate after 60 mins by... | 22959556 |
| Dipeptidyl peptidase 4 | IC50 | = | 4.0 | nM | 8.4 | Inhibition of DPP4 in human plasma using GLY-Pro-MCA as substrate after 60 mins ... | 22959556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22959556 | 10.1016/j.bmc.2012.08.012 | Dipeptidyl peptidase 4 | 2 |
| 22959556 | 10.1016/j.bmc.2012.08.012 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine