Compound Detail
CHEMBL4451993
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Basic Information
| ChEMBL ID | CHEMBL4451993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCDRGCRQJSNOSC-KRWDZBQOSA-N |
1
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
2.65
ALogP
3
HBA
0
HBD
57.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | Ki | 8.46 | 8.1867 | 3.5 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 1.86 | 10'5/M/s | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prolyl endopeptidase | Ki | = | 3.5 | nM | 8.46 | Inhibition of recombinant human POP assessed as affinity constant of second step... | 31393718 |
| Prolyl endopeptidase | Ki | = | 4.0 | nM | 8.4 | Inhibition of recombinant human POP pre-incubated for 30 mins before addition of... | 31393718 |
| Prolyl endopeptidase | Ki | = | 20.0 | nM | 7.7 | Inhibition of recombinant human POP assessed as affinity constant of first step ... | 31393718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31393718 | 10.1021/acs.jmedchem.9b00642 | Prolyl endopeptidase | 8 |
| 31393718 | 10.1021/acs.jmedchem.9b00642 | Prolyl endopeptidase FAP | 2 |
Data from ChEMBL 36 via Core Engine