Compound Detail
CHEMBL452290
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
C[C@@H](c1ccc(-c2cccc(C(N)=O)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1
Basic Information
| ChEMBL ID | CHEMBL452290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGAZXKNSNKIHFM-AGRHKRQWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.4
MW (Da)
2.45
ALogP
3
HBA
2
HBD
89.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of DPP4 | 18524582 |
| Dipeptidyl peptidase 8 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of DPP8 | 18524582 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18524582 | 10.1016/j.bmcl.2008.05.061 | Dipeptidyl peptidase 4 | 1 |
| 18524582 | 10.1016/j.bmcl.2008.05.061 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine