Compound Detail
CHEMBL514011
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 | CHEMBL514011 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NOMKZQKLENFAJZ-HOTGVXAUSA-N |
3
Targets
3
Activities
1
Assay Types
5
PK Parameters
6
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
0.67
ALogP
6
HBA
1
HBD
75.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.04 | 5.04 | 9150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 276.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 61.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 607.01 | nM | Rattus norvegicus |
| F | 20.0 | % | Rattus norvegicus |
| T1/2 | 1.5 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 4.8 | nM | 8.32 | Inhibition of human recombinant DPP4 | 19275964 |
| Dipeptidyl peptidase 2 | IC50 | = | 210.0 | nM | 6.68 | Inhibition of human recombinant DPP2 | 19275964 |
| Dipeptidyl peptidase 8 | IC50 | = | 9150.0 | nM | 5.04 | Inhibition of human recombinant DPP8 | 19275964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Rattus norvegicus | 6 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | MDCK | 2 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 4 | 1 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 2 | 1 |
| 19275964 | 10.1016/j.bmcl.2009.02.041 | Dipeptidyl peptidase 8 | 1 |
Data from ChEMBL 36 via Core Engine