Compound Detail
CHEMBL250787
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 | CHEMBL250787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDEXEPZGMKFCTG-PSASIEDQSA-N |
2
Targets
3
Activities
1
Assay Types
12
PK Parameters
9
Publications
0
Known Names
Molecular Properties
421.4
MW (Da)
2.58
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.6 | 7.6 | 25.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 0.432 | uM.hr.Kg/mg | Rattus norvegicus |
| AUC | 30.24 | uM.hr.Kg/mg | Canis lupus familiaris |
| AUC | 1.64 | uM.hr.Kg/mg | Macaca mulatta |
| CL | 68.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 1.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 16.0 | mL.min-1.kg-1 | Macaca mulatta |
| F | 74.0 | % | Rattus norvegicus |
| F | 67.0 | % | Canis lupus familiaris |
| F | 65.0 | % | Macaca mulatta |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 26.0 | hr | Canis lupus familiaris |
| T1/2 | 7.7 | hr | Macaca mulatta |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of DPP4 | 17827003 |
| Dipeptidyl peptidase 4 | IC50 | = | 25.0 | nM | 7.6 | Inhibition of dipeptidyl peptidase 4 (unknown origin) | - |
| Dipeptidyl peptidase 2 | IC50 | = | 25000.0 | nM | 4.6 | Inhibition of QPP | 17827003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Rattus norvegicus | 4 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Canis familiaris | 4 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Rhesus monkey | 4 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Mus musculus | 3 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 4 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 8 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 9 | 1 |
| 17827003 | 10.1016/j.bmcl.2007.07.100 | Dipeptidyl peptidase 2 | 1 |
| - | 10.1007/s00044-012-0455-6 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine