Compound Detail
CHEMBL552403
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Basic Information
| ChEMBL ID | CHEMBL552403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWUAFXFNTPFJBV-CHZGQIEOSA-N |
| Parent Compound | CHEMBL1194351 |
| Active Moiety | CHEMBL1194351 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
1.18
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 CHEMBL284 | IC50 | 6.82 | 6.82 | 152.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Dipeptidyl peptidase 4 | IC50 | = | 152.0 | nM | 6.82 | 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