Compound Detail
CHEMBL1467876
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Basic Information
| ChEMBL ID | CHEMBL1467876 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLWUMZKNTLKMGT-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
366.9
MW (Da)
4.06
ALogP
6
HBA
1
HBD
60.0
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.88 | 5.88 | 1312.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.44 | 5.0333 | 3660.0 | 3 |
| Nucleic Acid CHEMBL345 | EC50 | 5.06 | 5.06 | 8720.0 | 1 |
| HT-1080 CHEMBL614580 | EC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 1312.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 3660.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Nucleic Acid | EC50 | = | 8720.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Unchecked | EC50 | = | 9967.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 21846.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| HT-1080 | EC50 | = | 35000.0 | nM | 4.46 | PUBCHEM_BIOASSAY: Fluorescent HTS Cytotoxicity/Cell viability assay (HT1080 cell... | - |
Data from ChEMBL 36 via Core Engine