Compound Detail
CHEMBL5275046
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
CN1CCN(S(=O)(=O)c2cccc(C(=O)NC[C@@H]3CCCN3C(=O)C[C@H](N)[C@H]3CCc4cc(F)c(F)cc43)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5275046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPOIJFXKFKKPKB-MYIHVTGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
589.7
MW (Da)
2.07
ALogP
6
HBA
2
HBD
116.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 1.1 | nM | 8.96 | Inhibition of human DPP-4 expressed in human Caco-2 cells using H-Gly-Pro-AMC as... | 34428715 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34428715 | 10.1016/j.bmc.2021.116354 | Dipeptidyl peptidase 4 | 1 |
| 34428715 | 10.1016/j.bmc.2021.116354 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine