Compound Detail
CHEMBL1497139
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Basic Information
| ChEMBL ID | CHEMBL1497139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTILOECLHXZTCA-NDENLUEZSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
418.2
MW (Da)
4.95
ALogP
5
HBA
0
HBD
81.0
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO CHEMBL613853 | IC50 | 5.81 | 5.81 | 1561.0 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.35 | 5.08 | 4510.0 | 2 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.28 | 5.28 | 5311.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 4.88 | 4.88 | 13247.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CHO | IC50 | = | 1561.0 | nM | 5.81 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| Kappa-type opioid receptor | IC50 | = | 4510.0 | nM | 5.35 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Toll-like receptor 9 | IC50 | = | 5311.0 | nM | 5.28 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Beta Lactamase | IC50 | = | 13247.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Kappa-type opioid receptor | IC50 | = | 15396.0 | nM | 4.81 | PUBCHEM_BIOASSAY: HTS Image-Based Screen for Selective Antagonists of the KOR Re... | - |
Data from ChEMBL 36 via Core Engine