Compound Detail
CHEMBL1650430
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Basic Information
| ChEMBL ID | CHEMBL1650430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWCYEGOZLOFGEO-LLVKDONJSA-N |
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
1.91
ALogP
7
HBA
1
HBD
87.9
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.333 | hr | Homo sapiens |
| T1/2 | 0.25 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of human DPP4 | 21186796 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21186796 | 10.1021/jm101016w | Liver microsomes | 2 |
| 21186796 | 10.1021/jm101016w | Dipeptidyl peptidase 8 | 1 |
| 21186796 | 10.1021/jm101016w | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine