Compound Detail
CHEMBL1301723
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Basic Information
| ChEMBL ID | CHEMBL1301723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOOFOVWCKIIVJR-MOSHPQCFSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
4.19
ALogP
5
HBA
0
HBD
81.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.78 | 5.78 | 1644.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.31 | 5.015 | 4860.0 | 2 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.27 | 5.27 | 5322.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.8 | 4.8 | 15868.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.19 | 4.19 | 65200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1644.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Kappa-type opioid receptor | IC50 | = | 4860.0 | nM | 5.31 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Toll-like receptor 9 | IC50 | = | 5322.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 15868.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Kappa-type opioid receptor | IC50 | = | 18935.0 | nM | 4.72 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
| Aminopeptidase N | IC50 | = | 65200.0 | nM | 4.19 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine