Compound Detail
CHEMBL2418635
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2418635 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PTOZBZBTZAOHNA-YYLIZZNMSA-N |
| Parent Compound | CHEMBL3039697 |
| Active Moiety | CHEMBL3039697 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
0.87
ALogP
6
HBA
1
HBD
100.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.58 | 6.58 | 265.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 265.0 | nM | 6.58 | Inhibition of human purified His-tagged DPP-4 assessed as cleavage of substrate ... | 23938053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23938053 | 10.1016/j.bmc.2013.07.034 | Unchecked | 3 |
| 23938053 | 10.1016/j.bmc.2013.07.034 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine