Compound Detail
CHEMBL328694
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Basic Information
| ChEMBL ID | CHEMBL328694 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NERFQQPUBDASEO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
199.3
MW (Da)
0.07
ALogP
3
HBA
2
HBD
72.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.0 | 5.0 | 9900.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 4.41 | 4.41 | 39000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 9900.0 | nM | 5.0 | In vitro inhibition of porcine Dipeptidylpeptidase II. | 12270155 |
| Dipeptidyl peptidase 2 | IC50 | = | 9900.0 | nM | 5.0 | Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) | 14584950 |
| Dipeptidyl peptidase 4 | IC50 | = | 39000.0 | nM | 4.41 | In vitro inhibition of human Dipeptidylpeptidase IV. | 12270155 |
| Dipeptidyl peptidase 4 | IC50 | = | 39000.0 | nM | 4.41 | Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) | 14584950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 4 | 2 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 2 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase 4 | 1 |
| 12270155 | 10.1016/s0960-894x(02)00603-0 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine