Compound Detail
CHEMBL3190585
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Basic Information
| ChEMBL ID | CHEMBL3190585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBXUTJMCUCDJGD-VXLYETTFSA-N |
4
Targets
7
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.3
MW (Da)
2.90
ALogP
6
HBA
2
HBD
109.8
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.72 | 5.6975 | 19.0 | 4 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.89 | 5.89 | 1285.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 4.96 | 4.96 | 11066.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 4.85 | 4.85 | 14272.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 19.0 | nM | 7.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1285.0 | nM | 5.89 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 3849.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Streptococcus sp. 'group A' | EC50 | = | 11066.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 14240.0 | nM | 4.85 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Streptokinase A | EC50 | = | 14272.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 15937.0 | nM | 4.8 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
Data from ChEMBL 36 via Core Engine