Compound Detail
CHEMBL3189224
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Basic Information
| ChEMBL ID | CHEMBL3189224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DRKDLFXVQLJSLX-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1731146 |
| Active Moiety | CHEMBL1731146 |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
412.6
MW (Da)
6.29
ALogP
6
HBA
1
HBD
51.5
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.13
EC50 1 meas. best 4.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.13 | 5.13 | 7425.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.0 | 5.0 | 10030.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | EC50 | 4.86 | 4.86 | 13879.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.67 | 4.67 | 21158.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 4.47 | 4.47 | 33612.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 7425.0 | nM | 5.13 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 10030.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Insulin-degrading enzyme | EC50 | = | 13879.0 | nM | 4.86 | PUBCHEM_BIOASSAY: Fluorescence polarization-based cell-based high throughput dos... | - |
| CHO | IC50 | = | 21158.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| HEK293 | IC50 | = | 33612.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Counterscreen for activators of insulin-degrading enzyme (IDE)... | - |
Data from ChEMBL 36 via Core Engine