Compound Detail
CHEMBL590947
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Basic Information
| ChEMBL ID | CHEMBL590947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGEULKLIKKJDIZ-UHFFFAOYSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
330.8
MW (Da)
4.80
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 6.72
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 6.72 | 6.72 | 192.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 6.46 | 6.46 | 349.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.72 | 5.72 | 1902.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.57 | 5.57 | 2684.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2672.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.32 | 5.32 | 4772.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | EC50 | 5.18 | 5.18 | 6610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 349.0 | nM | 6.46 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 1902.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Streptococcus | EC50 | = | 2684.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| Unchecked | IC50 | = | 2672.0 | nM | 5.57 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 4772.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | EC50 | = | 6610.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect h... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
Data from ChEMBL 36 via Core Engine