Compound Detail
CHEMBL5289339
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N[C@@H](CC(=O)N1CCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(F)cc1F)[C@H]1CCc2cc(F)c(F)cc21
Basic Information
| ChEMBL ID | CHEMBL5289339 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VWNQHPSLUPOOIT-RPPIVITFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
612.6
MW (Da)
2.43
ALogP
6
HBA
2
HBD
122.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.06 | 9.06 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.87 | nM | 9.06 | 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 |
Data from ChEMBL 36 via Core Engine