Compound Detail
CHEMBL1463750
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Basic Information
| ChEMBL ID | CHEMBL1463750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNARABJYXPIUME-UHFFFAOYSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
385.5
MW (Da)
2.70
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.17
IC50 2 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.17 | 7.17 | 67.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.8 | 1584.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.75 | 5.75 | 1765.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.68 | 5.68 | 2110.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.47 | 5.005 | 3390.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Streptococcus sp. 'group A' | EC50 | = | 67.0 | nM | 7.17 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Unchecked | EC50 | = | 1584.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Streptococcus | EC50 | = | 1765.0 | nM | 5.75 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 2110.0 | nM | 5.68 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 3390.0 | nM | 5.47 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
| Unchecked | IC50 | = | 28820.0 | nM | 4.54 | PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... | - |
Data from ChEMBL 36 via Core Engine