Compound Detail
CHEMBL218306
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](c1n[nH]c(-c2ccc(Cl)cc2Cl)n1)[C@H](N)C(=O)N1CCCC1.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL218306 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWJOBRNZTGWNNK-NAWISMDQSA-N |
| Parent Compound | CHEMBL1182194 |
| Active Moiety | CHEMBL1182194 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.3
MW (Da)
2.83
ALogP
4
HBA
2
HBD
87.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.52 | 5.52 | 3050.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.27 | 5.27 | 5410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3050.0 | nM | 5.52 | Inhibition of DPP4 | 16919457 |
| Dipeptidyl peptidase 2 | IC50 | = | 5410.0 | nM | 5.27 | Inhibition of QPP | 16919457 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 4 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 2 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 9 | 1 |
| 16919457 | 10.1016/j.bmcl.2006.07.061 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine