Compound Detail
CHEMBL471544
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Basic Information
| ChEMBL ID | CHEMBL471544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAVJGCCRPYAHLF-IRXDYDNUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
1.92
ALogP
5
HBA
2
HBD
108.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.46 | 7.46 | 35.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 6.67 | 6.67 | 212.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 6.08 | 6.08 | 840.0 | 1 |
| Dipeptidyl peptidase IV CHEMBL4295559 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 35.0 | nM | 7.46 | Inhibition of DPP4 | 18556199 |
| Dipeptidyl peptidase 9 | IC50 | = | 212.0 | nM | 6.67 | Inhibition of DPP9 | 18556199 |
| Dipeptidyl peptidase 8 | IC50 | = | 240.0 | nM | 6.62 | Inhibition of DPP8 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 840.0 | nM | 6.08 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase IV | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Porphyromonas gingivalis N-terminal His-tagged DPP4 expressed in E... | 28826083 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 3 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 1 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine