Compound Detail
CHEMBL318284
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(c1cc(COCc2ccccc2)on1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL318284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVVDNCZGGYXLLJ-UIOOFZCWSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
517.6
MW (Da)
4.37
ALogP
7
HBA
0
HBD
102.2
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | Ki | 9.55 | 8.6583 | 0.3 | 6 |
| Unchecked CHEMBL612545 | Ki | 9.55 | 9.55 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.28 | nM | 9.55 | In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in ... | 14611847 |
| Unchecked | Ki | = | 0.28 | nM | 9.55 | Inhibition of Trypanosoma cruzi prolyl endopeptidase Tc80 | 18053726 |
| Prolyl endopeptidase | Ki | = | 1.25 | nM | 8.9 | In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in ... | 14611847 |
| Prolyl endopeptidase | Ki | = | 3.3 | nM | 8.48 | In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in ... | 14611847 |
| Prolyl endopeptidase | Ki | = | 4.0 | nM | 8.4 | In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in hu... | 14611847 |
| Prolyl endopeptidase | Ki | = | 4.0 | nM | 8.4 | Inhibition of human prolyl endopeptidase | 18053726 |
| Prolyl endopeptidase | Ki | = | 6.0 | nM | 8.22 | In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in hu... | 14611847 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611847 | 10.1016/s0960-894x(03)00579-1 | Prolyl endopeptidase | 6 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Unchecked | 1 |
| 18053726 | 10.1016/j.bmc.2007.11.015 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine