Compound Detail
CHEMBL201158
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Basic Information
| ChEMBL ID | CHEMBL201158 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUDJEDOIMGXNTK-INIZCTEOSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.53
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.92 | 6.92 | 119.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 5.08 | 5.08 | 8338.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 119.0 | nM | 6.92 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 4 | IC50 | = | 119.0 | nM | 6.92 | In vitro inhibition of DPP-4 | 17194587 |
| Dipeptidyl peptidase 8 | IC50 | = | 8338.0 | nM | 5.08 | Inhibitory activity against DPP8 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 8338.0 | nM | 5.08 | In vitro inhibition of DPP-8 | 17194587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 4 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 8 | 1 |
| 16392822 | 10.1021/jm0507781 | Dipeptidyl peptidase 2 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 4 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 2 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Dipeptidyl peptidase 8 | 1 |
| 17194587 | 10.1016/j.bmcl.2006.12.019 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine