Compound Detail
CHEMBL4558566
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CC1(C)[C@H]2C[C@@H]3OB([C@@H]4CCCN4C(=O)c4cccc5c4C(=O)N(Cc4ccccc4)C5)O[C@]3(C)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL4558566 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APHGNHQPDNKIMX-VUHXKOJWSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prolyl endopeptidase CHEMBL3202 | Ki | 7.66 | 7.345 | 22.0 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ka | 0.04 | 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 | = | 22.0 | nM | 7.66 | Inhibition of recombinant human POP pre-incubated for 2 hrs before addition of Z... | 31393718 |
| Prolyl endopeptidase | Ki | = | 29.0 | nM | 7.54 | Inhibition of recombinant human POP assessed as affinity constant of second step... | 31393718 |
| Prolyl endopeptidase | Ki | = | 60.0 | nM | 7.22 | Inhibition of recombinant human POP assessed as affinity constant of first step ... | 31393718 |
| Prolyl endopeptidase | Ki | = | 110.0 | nM | 6.96 | Inhibition of recombinant human POP pre-incubated for 30 mins before addition of... | 31393718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31393718 | 10.1021/acs.jmedchem.9b00642 | Prolyl endopeptidase | 7 |
| 31393718 | 10.1021/acs.jmedchem.9b00642 | Prolyl endopeptidase FAP | 1 |
| 31393718 | 10.1021/acs.jmedchem.9b00642 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine