Compound Detail
CHEMBL561462
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Basic Information
| ChEMBL ID | CHEMBL561462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XKKPMKPDEWKVBA-LQDWTQKMSA-N |
| Parent Compound | CHEMBL1197168 |
| Active Moiety | CHEMBL1197168 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
1.12
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.96 | 6.96 | 109.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 109.0 | nM | 6.96 | Inhibition of human recombinant DPP4 by fluorescence assay | 19482472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19482472 | 10.1016/j.bmcl.2009.05.048 | Unchecked | 3 |
| 19482472 | 10.1016/j.bmcl.2009.05.048 | Dipeptidyl peptidase 4 | 1 |
| 19482472 | 10.1016/j.bmcl.2009.05.048 | Prolyl endopeptidase FAP | 1 |
Data from ChEMBL 36 via Core Engine