Compound Detail
CHEMBL1589062
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Basic Information
| ChEMBL ID | CHEMBL1589062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPTOLNYVANDUEP-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
5.42
ALogP
6
HBA
0
HBD
58.4
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.25
EC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta Lactamase CHEMBL1293246 | IC50 | 5.25 | 5.25 | 5584.0 | 1 |
| Neurotensin receptor type 1 CHEMBL4123 | EC50 | 5.24 | 5.24 | 5720.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.09 | 5.09 | 8147.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.93 | 4.93 | 11870.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta Lactamase | IC50 | = | 5584.0 | nM | 5.25 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Neurotensin receptor type 1 | EC50 | = | 5720.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Dose Response confirmation of Image-Based HTS for Selective Ag... | - |
| Toll-like receptor 9 | IC50 | = | 8147.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| CHO | IC50 | = | 11870.0 | nM | 4.93 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
Data from ChEMBL 36 via Core Engine