Compound Detail
CHEMBL3216276
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
Cl.Cl.N[C@@H](CC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)C1)C(=O)N1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL3216276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYBOUZJWKRRWRW-WLOLSGMKSA-N |
| Parent Compound | CHEMBL1851706 |
| Active Moiety | CHEMBL1851706 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
2.98
ALogP
4
HBA
1
HBD
87.0
PSA (Ų)
0.54
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of recombinant human DPP8 assessed as pNA release from Ala-Pro- p-nit... | 21711053 |
| Unchecked | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of bovine testes DPP9 assessed as pNA release from Ala-Pro- p-nitroan... | 21711053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 8 | 1 |
| 21711053 | 10.1021/jm200383j | Unchecked | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 4 | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine