Compound Detail
CHEMBL488810
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
CC(C)(CNC(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N
Basic Information
| ChEMBL ID | CHEMBL488810 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLFHOQNZMJPBFI-SFTDATJTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.4
MW (Da)
4.07
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.57
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 109.0 | nM | 6.96 | Inhibition of DPP4 in human plasma by fluorescence assay | 18243000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18243000 | 10.1016/j.bmc.2008.01.016 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine