Compound Detail
CHEMBL3185489
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Basic Information
| ChEMBL ID | CHEMBL3185489 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFFMDFFZMYYVKS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
407.3
MW (Da)
2.02
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 7.75 | 7.74 | 18.0 | 2 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 18.0 | nM | 7.75 | Inhibition of human DPP4 using Gly-Pro-AMC as substrate incubated for 30 mins by... | 36209967 |
| Dipeptidyl peptidase 4 | IC50 | = | 18.5 | nM | 7.73 | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate incubated for... | 36209967 |
| Dipeptidyl peptidase 4 | IC50 | = | 26.01 | nM | 7.58 | Inhibition Assay: Thoroughly mixed test compounds, enzyme and reaction buffer, p... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36209967 | 10.1016/j.bmcl.2022.129018 | Dipeptidyl peptidase 4 | 3 |
Data from ChEMBL 36 via Core Engine