Compound Detail
CHEMBL1725771
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Basic Information
| ChEMBL ID | CHEMBL1725771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFIVTCCOIOUDON-UHFFFAOYSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
3.06
ALogP
3
HBA
1
HBD
63.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.39
EC50 1 meas. best 4.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.39 | 5.39 | 4091.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.32 | 5.32 | 4771.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 5.04 | 5.04 | 9070.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM10 CHEMBL1741194 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.88 | 4.88 | 13193.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Toll-like receptor 9 | IC50 | = | 4091.0 | nM | 5.39 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 4771.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 9070.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Mitochondrial import inner membrane translocase subunit TIM10 | IC50 | = | 10600.0 | nM | 4.97 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| HEK293 | EC50 | = | 13193.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... | - |
Data from ChEMBL 36 via Core Engine