Compound Detail
CHEMBL363250
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Basic Information
| ChEMBL ID | CHEMBL363250 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGNBIYXILDDDQR-DTWKUNHWSA-N |
4
Targets
12
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
0.87
ALogP
3
HBA
1
HBD
70.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 11 meas. best 8.15
Ki 1 meas. best 8.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 8.15 | 7.02 | 7.0 | 2 |
| Dipeptidyl peptidase 8/9 CHEMBL3885564 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
| Dipeptidyl peptidase 9 CHEMBL4793 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| Dipeptidyl peptidase 8 CHEMBL4657 | IC50 | 4.38 | 4.38 | 42000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 48.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | Ki | = | 3.8 | nM | 8.42 | In vitro test for inhibitory activity against human dipeptidyl peptidase IV. | - |
| Dipeptidyl peptidase 4 | IC50 | = | 7.0 | nM | 8.15 | Inhibitory concentration against dipeptidylpeptidase IV | 15293982 |
| Dipeptidyl peptidase 8/9 | IC50 | = | 120.0 | nM | 6.92 | EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... | - |
| Dipeptidyl peptidase 4 | IC50 | = | 1300.0 | nM | 5.89 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 9 | IC50 | = | 19000.0 | nM | 4.72 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
| Dipeptidyl peptidase 8 | IC50 | = | 42000.0 | nM | 4.38 | In Vitro Inhibition Assay: EnzymesRecombinant human DPPIV (R&D Systems, Cat. No.... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00190-4 | Dipeptidyl peptidase 4 | 1 |
| - | 10.1016/0960-894X(96)00190-4 | ADMET | 1 |
| 15293982 | 10.1021/jm030628v | Dipeptidyl peptidase 4 | 1 |
Data from ChEMBL 36 via Core Engine