Compound Detail
CHEMBL517072
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
N[C@@H](CC(=O)N1CCn2c(nnc2C(F)(F)C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
Basic Information
| ChEMBL ID | CHEMBL517072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSJRQOXSENKKMU-SECBINFHSA-N |
1
Targets
1
Activities
1
Assay Types
4
PK Parameters
2
Publications
0
Known Names
Molecular Properties
457.3
MW (Da)
2.65
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.15 | 7.15 | 71.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 58.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 160.0 | nM | Rattus norvegicus |
| F | 61.0 | % | Rattus norvegicus |
| T1/2 | 2.3 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 71.0 | nM | 7.15 | Inhibition of DPP4 | 18570365 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18570365 | 10.1021/jm800219f | Rattus norvegicus | 4 |
| 18570365 | 10.1021/jm800219f | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine