Compound Detail
CHEMBL318630
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O=C(c1cc(COCc2ccccc2)on1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL318630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJWVNHKDAQZJHN-NSOVKSMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
529.6
MW (Da)
4.58
ALogP
6
HBA
0
HBD
93.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | Ki | 9.47 | 9.47 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 0.34 | nM | 9.47 | 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 | Leishmania donovani | 5 |
| 14611847 | 10.1016/s0960-894x(03)00579-1 | Trypanosoma cruzi | 5 |
| 14611847 | 10.1016/s0960-894x(03)00579-1 | Trypanosoma brucei rhodesiense | 5 |
| 14611847 | 10.1016/s0960-894x(03)00579-1 | KB | 3 |
| 14611847 | 10.1016/s0960-894x(03)00579-1 | Prolyl endopeptidase | 2 |
Data from ChEMBL 36 via Core Engine