Compound Detail
CHEMBL272114
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Basic Information
| ChEMBL ID | CHEMBL272114 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJLVMTVZVJSNHG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
6
Publications
0
Known Names
Molecular Properties
296.8
MW (Da)
3.22
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 22100.0 | ng.hr.mL-1 | Rattus norvegicus |
| F | 122.0 | % | Rattus norvegicus |
| T1/2 | 0.6333 | hr | Rattus norvegicus |
| T1/2 | 3.333 | hr | Homo sapiens |
| T1/2 | 3.8 | hr | Rattus norvegicus |
| T1/2 | 2.9 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of human DPP4 | 18346892 |
| Dipeptidyl peptidase 4 | IC50 | = | 8.0 | nM | 8.1 | Inhibition of dipeptidyl peptidase 4 (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18346892 | 10.1016/j.bmcl.2008.02.071 | ADMET | 4 |
| 18346892 | 10.1016/j.bmcl.2008.02.071 | Liver microsomes | 2 |
| 18346892 | 10.1016/j.bmcl.2008.02.071 | Dipeptidyl peptidase 4 | 1 |
| 18346892 | 10.1016/j.bmcl.2008.02.071 | Dipeptidyl peptidase 8 | 1 |
| 18346892 | 10.1016/j.bmcl.2008.02.071 | Plasma | 1 |
| - | 10.1007/s00044-012-0455-6 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine