Compound Detail
CHEMBL3616902
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Basic Information
| ChEMBL ID | CHEMBL3616902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPCZXSZLJFPPNK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
0.93
ALogP
9
HBA
1
HBD
90.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Prolyl endopeptidase FAP CHEMBL4683 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Dipeptidyl peptidase IV CHEMBL4295559 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 29.0 | nM | 7.54 | Binding affinity to DPP4 (unknown origin) | - |
| Prolyl endopeptidase FAP | IC50 | = | 10300.0 | nM | 4.99 | Binding affinity to FAP (unknown origin) | - |
| Dipeptidyl peptidase IV | IC50 | = | 100000.0 | nM | 4.0 | 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 |
| - | 10.1039/C4MD00167B | Prolyl endopeptidase FAP | 1 |
| - | 10.1039/C4MD00167B | Dipeptidyl peptidase 4 | 1 |
| - | 10.1039/C4MD00167B | Prolyl endopeptidase | 1 |
| - | 10.1039/C4MD00167B | Dipeptidyl peptidase 9 | 1 |
| - | 10.1039/C4MD00167B | Dipeptidyl peptidase 2 | 1 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine