Compound Detail
CHEMBL386369
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Basic Information
| ChEMBL ID | CHEMBL386369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIMRNLAKAARHPD-IRXDYDNUSA-N |
2
Targets
2
Activities
1
Assay Types
30
PK Parameters
15
Publications
0
Known Names
Molecular Properties
395.5
MW (Da)
1.24
ALogP
6
HBA
2
HBD
109.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | Ki | 9.0 | 9.0 | 1.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 7600.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5200.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 2800.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 2100.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 580.0 | ng.hr.mL-1 | Macaca fascicularis |
| AUC | 970.0 | ng.hr.mL-1 | Canis lupus familiaris |
| AUC | 12470.0 | mg/dl | Rattus norvegicus |
| AUC | 39000.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 36000.0 | ng.hr.mL-1 | Canis lupus familiaris |
| CL | 11.33 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.5 | mL.min-1.kg-1 | Macaca fascicularis |
| CL | 15.17 | mL.min-1.kg-1 | Canis lupus familiaris |
| Cmax | 935.62 | nM | Rattus norvegicus |
| Cmax | 354.02 | nM | Macaca fascicularis |
| Cmax | 758.61 | nM | Canis lupus familiaris |
| F | 28.0 | % | Rattus norvegicus |
| F | 11.2 | % | Macaca fascicularis |
| F | 35.2 | % | Canis lupus familiaris |
| T1/2 | 6.8 | hr | Rattus norvegicus |
| T1/2 | 1.7 | hr | Macaca fascicularis |
| T1/2 | 6.4 | hr | Canis lupus familiaris |
| T1/2 | 4.7 | hr | Rattus norvegicus |
| T1/2 | 2.0 | hr | Macaca fascicularis |
| T1/2 | 5.3 | hr | Canis lupus familiaris |
| Tmax | 4.7 | hr | Rattus norvegicus |
| Tmax | 2.7 | hr | Macaca fascicularis |
| Tmax | 0.8 | hr | Canis lupus familiaris |
| Vd | 6.7 | L.kg-1 | Rattus norvegicus |
| Vd | 1.3 | L.kg-1 | Macaca fascicularis |
| Vd | 8.5 | L.kg-1 | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 1.0 | nM | 9.0 | Inhibition of human DPP4 expressed in Caco-2 cells | 17034148 |
| Dipeptidyl peptidase 4 | Ki | = | 1.0 | nM | 9.0 | Inhibition of Zucker rat DPP4 | 17034148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034148 | 10.1021/jm060777o | Rattus norvegicus | 21 |
| 17034148 | 10.1021/jm060777o | Canis familiaris | 13 |
| 17034148 | 10.1021/jm060777o | Cynomolgus monkey | 10 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 4 | 3 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 8 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 9 | 1 |
| 17034148 | 10.1021/jm060777o | Dipeptidyl peptidase 2 | 1 |
| 17034148 | 10.1021/jm060777o | Prolyl endopeptidase | 1 |
| 17034148 | 10.1021/jm060777o | Prolyl endopeptidase FAP | 1 |
| 17034148 | 10.1021/jm060777o | Cytochrome P450 3A4 | 1 |
| 17034148 | 10.1021/jm060777o | Cytochrome P450 2D6 | 1 |
| 17034148 | 10.1021/jm060777o | Cytochrome P450 2C9 | 1 |
| 17034148 | 10.1021/jm060777o | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 17034148 | 10.1021/jm060777o | Salmonella typhi | 1 |
| 17034148 | 10.1021/jm060777o | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine