Compound Detail
CHEMBL4248209
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Basic Information
| ChEMBL ID | CHEMBL4248209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOGYIICGUUSWIE-ROUUACIJSA-N |
7
Targets
7
Activities
1
Assay Types
15
PK Parameters
9
Publications
0
Known Names
Molecular Properties
474.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RPMI-8226 CHEMBL614882 | IC50 | 8.59 | 8.59 | 2.6 | 1 |
| ARH-77 CHEMBL2366241 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| U-266 CHEMBL2366315 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
| Proteasome Macropain subunit MB1 CHEMBL4662 | IC50 | 8.17 | 8.17 | 6.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Proteasome component C5 CHEMBL4208 | IC50 | 7.89 | 7.89 | 13.0 | 1 |
| Proteasome Macropain subunit CHEMBL3492 | IC50 | 5.84 | 5.84 | 1442.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 591.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 883.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 44.5 | mL.min-1.kg-1 | Homo sapiens |
| CL | 88.8 | mL.min-1.kg-1 | Macaca mulatta |
| CL | 18.5 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 40.8 | mL.min-1.kg-1 | Mus musculus |
| CL | 18.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 24.9 | % | Rattus norvegicus |
| T1/2 | 0.4 | hr | Rattus norvegicus |
| T1/2 | 5.28 | hr | Rattus norvegicus |
| T1/2 | 0.5183 | hr | Homo sapiens |
| T1/2 | 0.26 | hr | Macaca mulatta |
| T1/2 | 1.248 | hr | Canis lupus familiaris |
| T1/2 | 0.565 | hr | Mus musculus |
| T1/2 | 1.282 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RPMI-8226 | IC50 | = | 2.59 | nM | 8.59 | Cytotoxicity against human RPMI8226 cells assessed as reduction in cell viabilit... | 29934218 |
| ARH-77 | IC50 | = | 3.68 | nM | 8.43 | Cytotoxicity against human ARH77 cells assessed as reduction in cell viability a... | 29934218 |
| U-266 | IC50 | = | 4.32 | nM | 8.37 | Cytotoxicity against human U266B1 cells assessed as reduction in cell viability ... | 29934218 |
| Proteasome Macropain subunit MB1 | IC50 | = | 6.74 | nM | 8.17 | Inhibition of chymotrypsin-like activity of human 20S proteasome using Suc-Leu-L... | 29934218 |
| Unchecked | IC50 | = | 7.02 | nM | 8.15 | Proteasome Inhibitory Activity: The proteasome used in the present invention is ... | - |
| Proteasome component C5 | IC50 | = | 12.98 | nM | 7.89 | Inhibition of caspase-like activity of human 20S proteasome | 29934218 |
| Proteasome Macropain subunit | IC50 | = | 1442.0 | nM | 5.84 | Inhibition of trypsin-like activity of human 20S proteasome | 29934218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29934218 | 10.1016/j.bmc.2018.06.020 | ADMET | 10 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | Rattus norvegicus | 7 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | U-266 | 4 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | Mus musculus | 2 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | ARH-77 | 2 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | Proteasome Macropain subunit | 1 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | Proteasome component C5 | 1 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | Proteasome Macropain subunit MB1 | 1 |
| 29934218 | 10.1016/j.bmc.2018.06.020 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine