Compound Detail
CHEMBL5980162
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Basic Information
| ChEMBL ID | CHEMBL5980162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZIVNOAZZZDDHNV-WPRPVWTQSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
-0.48
ALogP
4
HBA
2
HBD
83.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 7.1 | 5.6 | 79.0 | 2 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 7.1 | 5.6 | 79.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.38 | 5.38 | 4180.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 8 | IC50 | = | 79.0 | nM | 7.1 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
| Dipeptidyl peptidase 9 | IC50 | = | 79.0 | nM | 7.1 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
| Dipeptidyl peptidase 2 | IC50 | = | 4180.0 | nM | 5.38 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 4500.0 | nM | 5.35 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 79000.0 | nM | 4.1 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 9 | IC50 | = | 79000.0 | nM | 4.1 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
Data from ChEMBL 36 via Core Engine