Compound Detail
CHEMBL1650428
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Basic Information
| ChEMBL ID | CHEMBL1650428 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRLQWYXDJRNYIS-BWAMLYQTSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.5
MW (Da)
3.40
ALogP
6
HBA
1
HBD
87.9
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.1 | hr | Homo sapiens |
| T1/2 | 3.333 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 21.0 | nM | 7.68 | Inhibition of human DPP4 | 21186796 |
| Dipeptidyl peptidase 8 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human DPP8 | 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