Compound Detail
CHEMBL1534390
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Basic Information
| ChEMBL ID | CHEMBL1534390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MULMJULXBQRDJB-UHFFFAOYSA-N |
7
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.66
ALogP
5
HBA
1
HBD
79.0
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.84
IC50 3 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.84 | 5.84 | 1454.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.65 | 5.65 | 2254.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.64 | 5.64 | 2310.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.46 | 5.46 | 3460.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.34 | 5.34 | 4583.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.09 | 5.09 | 8114.0 | 1 |
| CHO CHEMBL613853 | IC50 | 4.54 | 4.54 | 28479.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1454.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Streptokinase A | EC50 | = | 2254.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2310.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 3460.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Beta Lactamase | IC50 | = | 4583.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 8114.0 | nM | 5.09 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
| CHO | IC50 | = | 28479.0 | nM | 4.54 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: Luminescen... | - |
Data from ChEMBL 36 via Core Engine