Compound Detail
CHEMBL186406
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Basic Information
| ChEMBL ID | CHEMBL186406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YWERKLDMXHCBDE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
290.3
MW (Da)
1.89
ALogP
6
HBA
1
HBD
83.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.5 | 6.5 | 320.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 320.0 | nM | 6.5 | Inhibitory concentration against dipeptidylpeptidase IV | 15293982 |
| Dipeptidyl peptidase 4 | IC50 | = | 320.0 | nM | 6.5 | Inhibition of human DPP4 expressed in baculovirus system | 18207285 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15293982 | 10.1021/jm030628v | Dipeptidyl peptidase 4 | 1 |
| 18207285 | 10.1016/j.ejmech.2007.11.014 | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine