Compound Detail
CHEMBL1779697
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N[C@@H](CC(=O)N1CCN(Cc2ccccc2C(F)(F)F)C(=O)C1)Cc1cc(F)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL1779697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPGJCMYUVMYTIH-OAHLLOKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
473.4
MW (Da)
3.25
ALogP
3
HBA
1
HBD
66.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.29 | 7.29 | 50.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 50.7 | nM | 7.29 | Inhibition of recombinant human DPP-4 assessed as H-Gly-Pro-AMC cleavage after 1... | 21570283 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570283 | 10.1016/j.bmcl.2011.04.029 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine