Compound Detail
CHEMBL371480
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Basic Information
| ChEMBL ID | CHEMBL371480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNUKFQAGOWQDET-AWEZNQCLSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
300.4
MW (Da)
1.12
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.53 | 6.53 | 298.0 | 2 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 6.07 | 6.07 | 855.0 | 2 |
| Dipeptidyl peptidase 2 CHEMBL3976 | IC50 | 5.24 | 4.74 | 5717.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 298.0 | nM | 6.53 | Inhibitory activity against DPP4 | 16392822 |
| Dipeptidyl peptidase 4 | IC50 | = | 298.0 | nM | 6.53 | In vitro inhibition of DPP-4 | 17194587 |
| Dipeptidyl peptidase 8 | IC50 | = | 855.0 | nM | 6.07 | Inhibitory activity against DPP8 | 16392822 |
| Dipeptidyl peptidase 8 | IC50 | = | 855.5 | nM | 6.07 | In vitro inhibition of DPP-8 | 17194587 |
| Dipeptidyl peptidase 2 | IC50 | = | 5717.6 | nM | 5.24 | In vitro inhibition of DPP-II | 17194587 |
| Dipeptidyl peptidase 2 | IC50 | = | 57176.0 | nM | 4.24 | Inhibitory activity against DPP2 | 16392822 |
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 |
Data from ChEMBL 36 via Core Engine