Compound Detail
CHEMBL223497
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Basic Information
| ChEMBL ID | CHEMBL223497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGFGJCQSMFQBDA-GJZGRUSLSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
0.91
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.47 | 7.47 | 34.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 7.46 | 7.46 | 34.3 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.17 | 6.17 | 678.9 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.13 | 6.13 | 748.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 34.0 | nM | 7.47 | Inhibition of DPP4 in human plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 4 | IC50 | = | 34.3 | nM | 7.46 | Inhibition of DPP4 in rat plasma by fluorescence assay | 17113301 |
| Dipeptidyl peptidase 8 | IC50 | = | 678.9 | nM | 6.17 | Inhibition of human recombinant DPP8 | 17113301 |
| Dipeptidyl peptidase 9 | IC50 | = | 748.7 | nM | 6.13 | Inhibition of human recombinant DPP9 | 17113301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 4 | 2 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 8 | 1 |
| 17113301 | 10.1016/j.bmc.2006.10.059 | Dipeptidyl peptidase 9 | 1 |
Data from ChEMBL 36 via Core Engine