Compound Detail
CHEMBL269822
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Basic Information
| ChEMBL ID | CHEMBL269822 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAAGALDTCRVWMR-IRXDYDNUSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.91
ALogP
6
HBA
0
HBD
62.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.59
IC50 1 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.59 | 9.59 | 0.3 | 1 |
| Prolyl endopeptidase CHEMBL2461 | IC50 | 8.07 | 8.07 | 8.5 | 1 |
| Prolyl endopeptidase CHEMBL3202 | Ki | 7.8 | 7.8 | 16.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.26 | nM | 9.59 | Inhibition of Trypanosoma cruzi prolyl endopeptidase Tc80 | 18053726 |
| Prolyl endopeptidase | IC50 | = | 8.5 | nM | 8.07 | Inhibition of pig kidney PEP | 18053726 |
| Prolyl endopeptidase | Ki | = | 16.0 | nM | 7.8 | Inhibition of human prolyl endopeptidase | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18053726 | 10.1016/j.bmc.2007.11.015 | Prolyl endopeptidase | 2 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine