Compound Detail
CHEMBL1583998
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Basic Information
| ChEMBL ID | CHEMBL1583998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RYFDVUANILCDLL-OQLLNIDSSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.39
ALogP
7
HBA
2
HBD
139.0
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.36 | 5.36 | 4369.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.29 | 5.29 | 5120.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 4.4 | 4.4 | 39907.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 4369.0 | nM | 5.36 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 5120.0 | nM | 5.29 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| Type-1 angiotensin II receptor | IC50 | = | 39907.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
Data from ChEMBL 36 via Core Engine