Compound Detail
CHEMBL363542
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Basic Information
| ChEMBL ID | CHEMBL363542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNYVGGJJENHRBZ-LBPRGKRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
297.3
MW (Da)
0.07
ALogP
7
HBA
2
HBD
117.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 6.44 | 6.44 | 360.0 | 1 |
| Dipeptidyl peptidase 4 CHEMBL3813 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 200.0 | nM | 6.7 | Inhibitory concentration against dipeptidyl peptidase IV in Caco-2 cell assay | 15357972 |
| Dipeptidyl peptidase 4 | IC50 | = | 360.0 | nM | 6.44 | Inhibitory concentration against rat dipeptidyl peptidase IV | 15357972 |
| Dipeptidyl peptidase 4 | IC50 | = | 440.0 | nM | 6.36 | Inhibitory concentration against dipeptidyl peptidase IV of porcine kidney | 15357972 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15357972 | 10.1016/j.bmcl.2004.06.046 | Dipeptidyl peptidase 4 | 3 |
Data from ChEMBL 36 via Core Engine