Compound Detail
CHEMBL1571123
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Basic Information
| ChEMBL ID | CHEMBL1571123 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRERTPZNIPPBIT-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.9
MW (Da)
3.66
ALogP
5
HBA
1
HBD
89.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.78
EC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.06 | 6.06 | 880.0 | 1 |
| NACHT, LRR and PYD domains-containing protein 3 CHEMBL1741208 | IC50 | 5.78 | 5.615 | 1670.0 | 2 |
| CHO CHEMBL613853 | IC50 | 5.48 | 5.48 | 3312.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.08 | 5.08 | 8301.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.87 | 4.87 | 13618.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 880.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 1670.0 | nM | 5.78 | PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of NALP3 in yeast usi... | - |
| CHO | IC50 | = | 3312.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
| NACHT, LRR and PYD domains-containing protein 3 | IC50 | = | 3580.0 | nM | 5.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of i... | - |
| Beta Lactamase | IC50 | = | 8301.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 13618.0 | nM | 4.87 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine