Compound Detail
CHEMBL1984584
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Basic Information
| ChEMBL ID | CHEMBL1984584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZXLLFMXEKZWSA-LICLKQGHSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.3
MW (Da)
3.52
ALogP
4
HBA
2
HBD
83.3
PSA (Ų)
0.44
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.75
EC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 CHEMBL2007629 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Prothrombin CHEMBL4471 | IC50 | 5.69 | 5.69 | 2050.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.99 | 4.99 | 10230.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.94 | 4.94 | 11407.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.33 | 4.33 | 47169.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 26S proteasome non-ATPase regulatory subunit 14 | IC50 | = | 1770.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a F... | - |
| Prothrombin | IC50 | = | 2050.0 | nM | 5.69 | PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a ... | - |
| Beta Lactamase | IC50 | = | 10230.0 | nM | 4.99 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Unchecked | EC50 | = | 10800.0 | nM | 4.97 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Toll-like receptor 9 | IC50 | = | 11407.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| CHO | IC50 | = | 47169.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
Data from ChEMBL 36 via Core Engine