Compound Detail
CHEMBL452268
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
O=C([C@@H]1C[C@H](N(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CN1)N1Cc2ccccc2C1
Basic Information
| ChEMBL ID | CHEMBL452268 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YNJYHRIVWFNGOF-ACHIHNKUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
6.40
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.17 | 5.17 | 6690.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 9 | IC50 | = | 6690.0 | nM | 5.17 | Inhibition of DPP9 | 18556198 |
| Dipeptidyl peptidase 8 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of DPP8 | 18556198 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 8 | 1 |
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 9 | 1 |
| 18556198 | 10.1016/j.bmcl.2008.05.079 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine