Compound Detail
CHEMBL2004978
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Basic Information
| ChEMBL ID | CHEMBL2004978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOBLGNJPECBIEP-VIAAJXJMSA-N |
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
3.64
ALogP
5
HBA
3
HBD
94.3
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 8 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.22 | 5.44 | 601.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 6.18 | 5.58 | 663.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.64 | 5.64 | 2270.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.5 | 5.5 | 3178.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 4.95 | 4.95 | 11180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 601.0 | nM | 6.22 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 663.0 | nM | 6.18 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Streptokinase A | EC50 | = | 2270.0 | nM | 5.64 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 3178.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 10484.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Streptococcus | EC50 | = | 11180.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 22078.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine