Compound Detail
CHEMBL224435
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 | CHEMBL224435 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTPYCGIEGLJPF-ZETCQYMHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
186.3
MW (Da)
0.27
ALogP
3
HBA
1
HBD
32.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.27 | 6.26 | 538.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 6.22 | 6.22 | 607.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.33 | 5.33 | 4687.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 5.21 | 5.21 | 6129.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 538.0 | nM | 6.27 | Inhibition of DPP4 in human plasma by fluorescence assay | 17317162 |
| Dipeptidyl peptidase 4 | IC50 | = | 558.0 | nM | 6.25 | Inhibition of DPP4 in human plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 4 | IC50 | = | 607.0 | nM | 6.22 | Inhibition of DPP4 in rat plasma by fluorescence assay | 17317162 |
| Dipeptidyl peptidase 8 | IC50 | = | 4687.0 | nM | 5.33 | Inhibition of human recombinant DPP8 | 17113301 |
| Dipeptidyl peptidase 9 | IC50 | = | 6129.0 | nM | 5.21 | Inhibition of human recombinant DPP9 | 17113301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317162 | 10.1016/j.bmcl.2007.01.110 | Dipeptidyl peptidase 4 | 2 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 4 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 8 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine