Compound Detail
CHEMBL98869
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Basic Information
| ChEMBL ID | CHEMBL98869 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNVZYSMOLXCOLY-HNNXBMFYSA-N |
4
Targets
17
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
309.8
MW (Da)
2.16
ALogP
3
HBA
2
HBD
58.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 9.66
Ki 2 meas. best 10.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 10.09 | 10.09 | 0.1 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | Ki | 10.09 | 10.09 | 0.1 | 1 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 9.66 | 9.4333 | 0.2 | 3 |
| Dipeptidyl peptidase 9 CHEMBL4295538 | IC50 | 4.12 | 4.12 | 76600.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.12 | 4.115 | 76600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 0.082 | nM | 10.09 | Inhibition of DPP4 | 16844373 |
| Dipeptidyl peptidase 2 | Ki | = | 0.082 | nM | 10.09 | Inhibition of DPP2 | 18556199 |
| Dipeptidyl peptidase 2 | IC50 | = | 0.22 | nM | 9.66 | Inhibition of DPP2 | 16844373 |
| Dipeptidyl peptidase 2 | IC50 | = | 0.48 | nM | 9.32 | Inhibition of human Dipeptidylpeptidase II (DPP II) | 15139769 |
| Dipeptidyl peptidase 2 | IC50 | = | 0.48 | nM | 9.32 | Inhibition of DPP2 | 21711053 |
| Dipeptidyl peptidase 9 | IC50 | = | 76600.0 | nM | 4.12 | Inhibition of DPP9 | 18556199 |
| Dipeptidyl peptidase 9 | IC50 | = | 76600.0 | nM | 4.12 | Inhibition of bovine DPP9 | 28826083 |
| Dipeptidyl peptidase 9 | IC50 | = | 78600.0 | nM | 4.11 | Inhibition of DPP9 | 21711053 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 4 | 2 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase IV | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 2 | 2 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 4 | 1 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase 8 | 1 |
| 28826083 | 10.1016/j.ejmech.2017.08.024 | Dipeptidyl peptidase 4 | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 4 | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 9 | 1 |
| 21711053 | 10.1021/jm200383j | Dipeptidyl peptidase 8 | 1 |
| 15139769 | 10.1021/jm031122f | Dipeptidyl peptidase 2 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 9 | 1 |
| 18556199 | 10.1016/j.bmcl.2008.05.080 | Dipeptidyl peptidase 8 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 2 | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Unchecked | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
| 16844373 | 10.1016/j.bmcl.2006.06.082 | Dipeptidyl peptidase 8 | 1 |
| 15139769 | 10.1021/jm031122f | Dipeptidyl peptidase II and dipeptidyl peptidase IV (DPP2 and DPP4) | 1 |
Data from ChEMBL 36 via Core Engine