Compound Detail
CHEMBL194717
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Basic Information
| ChEMBL ID | CHEMBL194717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBCANTWOKYWQJY-DZKIICNBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
343.8
MW (Da)
1.87
ALogP
5
HBA
2
HBD
92.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Dipeptidyl peptidase 4 CHEMBL4653 | IC50 | 9.82 | 9.82 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 0.13 | nM | 9.89 | Inhibitory concentration against human dipeptidylpeptidase IV | 15863294 |
| Dipeptidyl peptidase 4 | IC50 | = | 0.15 | nM | 9.82 | Inhibitory concentration against rat dipeptidylpeptidase IV | 15863294 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15863294 | 10.1016/j.bmcl.2005.03.077 | Dipeptidyl peptidase 4 | 2 |
Data from ChEMBL 36 via Core Engine