Compound Detail
CHEMBL4547171
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Basic Information
| ChEMBL ID | CHEMBL4547171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVTLATBMJOEFFI-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
402.5
MW (Da)
3.56
ALogP
6
HBA
0
HBD
49.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Ki 1 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| INS1(832/13) CHEMBL4483248 | IC50 | 8.41 | 8.41 | 3.9 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 7.14 | 7.14 | 71.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of human DPP4 in pH 7.4 Tris buffer using AP-7-ATFMC as substrate pre... | 31812034 |
| INS1(832/13) | IC50 | = | 3.9 | nM | 8.41 | Antidiabetic activity in glucose-treated rat INS1(832/13) cells assessed as incr... | 31812034 |
| Dipeptidyl peptidase 4 | Ki | = | 71.87 | nM | 7.14 | Inhibition of human DPP4 | 31812034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31812034 | 10.1016/j.ejmech.2019.111912 | Dipeptidyl peptidase 4 | 3 |
| 31812034 | 10.1016/j.ejmech.2019.111912 | INS1(832/13) | 3 |
| 31812034 | 10.1016/j.ejmech.2019.111912 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine