Compound Detail
CHEMBL458248
POLYOZELLIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL458248 |
| Name | POLYOZELLIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCNILPFRYYKQOP-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
438.3
MW (Da)
4.16
ALogP
10
HBA
4
HBD
159.8
PSA (Ų)
0.18
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Prolyl oligopeptidase family protein CHEMBL4295533 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Chymotrypsin-like elastase family member 1 CHEMBL3000 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
| Prolyl endopeptidase CHEMBL3202 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.46 | 4.46 | 35100.0 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1100.0 | nM | 5.96 | Antiproliferative activity against human HL60 cells | 29429833 |
| Prolyl oligopeptidase family protein | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of Flavobacterium POP preincubated for 5 mins followed by Z-Gly-Pro-p... | 29429833 |
| Chymotrypsin-like elastase family member 1 | IC50 | = | 2720.0 | nM | 5.57 | Inhibition of Flavobacterium meningosepticum PEP | 11809072 |
| Prolyl endopeptidase | IC50 | = | 2720.0 | nM | 5.57 | Inhibition of prolyl oligopeptidase (unknown origin) | 29429833 |
| HUVEC | IC50 | = | 10200.0 | nM | 4.99 | Growth inhibition of HUVEC by WST-8 assay | 24601669 |
| MCF7 | IC50 | = | 35100.0 | nM | 4.46 | Antiproliferative activity against human MCF7 cells | 29429833 |
| Vascular endothelial growth factor receptor 2 | IC50 | = | 66000.0 | nM | 4.18 | Inhibition of recombinant human VEGFR2 | 24601669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24601669 | 10.1021/np401046z | HUVEC | 2 |
| 11809072 | 10.1021/np010194b | Chymotrypsin-like elastase family member 1 | 1 |
| 24601669 | 10.1021/np401046z | Vascular endothelial growth factor receptor 2 | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | MCF7 | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | HL-60 | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | Prolyl oligopeptidase family protein | 1 |
| 29429833 | 10.1016/j.bmcl.2018.01.054 | Prolyl endopeptidase | 1 |
Data from ChEMBL 36 via Core Engine