Compound Detail
CHEMBL358358
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Basic Information
| ChEMBL ID | CHEMBL358358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWTNFEAOISTJSS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
225.3
MW (Da)
1.27
ALogP
3
HBA
1
HBD
95.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 4.37 | 4.37 | 43000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 2 | IC50 | = | 43000.0 | nM | 4.37 | Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) | 14584950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 3 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 4 | 2 |
| 14584950 | 10.1021/jm0308803 | Dipeptidyl peptidase 2 | 1 |
Data from ChEMBL 36 via Core Engine