Compound Detail
CHEMBL3112966
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
Basic Information
| ChEMBL ID | CHEMBL3112966 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HPAJLBAQCKXNNT-SAABIXHNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
320.9
MW (Da)
3.49
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.97 | 4.97 | 10800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant DPP4 (39 to 766) | 24439847 |
| Dipeptidyl peptidase 9 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of human recombinant DPP9 | 24439847 |
| Dipeptidyl peptidase 8 | IC50 | = | 10800.0 | nM | 4.97 | Inhibition of human recombinant DPP8 | 24439847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Unchecked | 2 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 8 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 9 | 1 |
| 24439847 | 10.1016/j.bmcl.2013.12.118 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine