Compound Detail
CHEMBL399216
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Basic Information
| ChEMBL ID | CHEMBL399216 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLGQZJNVPWQDPL-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
0.41
ALogP
8
HBA
1
HBD
91.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Kd 2 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Kd | 7.88 | 7.805 | 13.2 | 2 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.09 | 7.09 | 82.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Kd | = | 13.2 | nM | 7.88 | Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasm... | 27438064 |
| Dipeptidyl peptidase 4 | Kd | = | 18.6 | nM | 7.73 | Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isoth... | 27438064 |
| Dipeptidyl peptidase 4 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human DPP4 in Caco-2 cells by fluorescene assay | 18052023 |
| Dipeptidyl peptidase 4 | IC50 | = | 82.0 | nM | 7.09 | Inhibition of human recombinant DPP4 (39 to 766 residues) using Ala-Pro-AFC as s... | 27438064 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27438064 | 10.1021/acs.jmedchem.6b00475 | Dipeptidyl peptidase 4 | 5 |
| 18052023 | 10.1021/jm701280z | Dipeptidyl peptidase 4 | 1 |
| 27438064 | 10.1021/acs.jmedchem.6b00475 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine