Compound Detail
CHEMBL99237
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Basic Information
| ChEMBL ID | CHEMBL99237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFFQIIZPFYDOIP-ROUUACIJSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
2.65
ALogP
6
HBA
0
HBD
93.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | Ki | 7.44 | 7.34 | 36.0 | 3 |
| Unchecked CHEMBL612545 | Ki | 7.14 | 7.14 | 72.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 36.0 | nM | 7.44 | In vitro inhibitory activity determined against prolyl oligopeptidase (PO) in hu... | 14611847 |
| Prolyl endopeptidase | Ki | = | 36.0 | nM | 7.44 | Inhibition of human prolyl endopeptidase | 18053726 |
| Prolyl endopeptidase | Ki | = | 72.0 | nM | 7.14 | In vitro inhibitory activity determined against prolyl oligopeptidase (Tc80) in ... | 14611847 |
| Unchecked | Ki | = | 72.0 | nM | 7.14 | Inhibition of Trypanosoma cruzi prolyl endopeptidase Tc80 | 18053726 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14611847 | 10.1016/s0960-894x(03)00579-1 | Prolyl endopeptidase | 2 |
| 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