Compound Detail
CHEMBL4456228
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Basic Information
| ChEMBL ID | CHEMBL4456228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVRTZFVIRFITBG-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
-0.13
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 6.61
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Kd | 6.61 | 6.35 | 246.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Kd | = | 246.0 | nM | 6.61 | Binding affinity to human recombinant DPP4 (39 to 766 residues) at 5 uM by isoth... | 27438064 |
| Dipeptidyl peptidase 4 | Kd | = | 806.0 | nM | 6.09 | Binding affinity to human recombinant DPP4 (39 to 766 residues) by surface plasm... | 27438064 |
| Dipeptidyl peptidase 4 | IC50 | = | 3900.0 | nM | 5.41 | 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 | 3 |
| 27438064 | 10.1021/acs.jmedchem.6b00475 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine