Compound Detail
CHEMBL3191763
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Basic Information
| ChEMBL ID | CHEMBL3191763 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNFFPBKFHTVMKK-YBFXNURJSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
49.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.21 | 5.9267 | 619.0 | 3 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.5 | 5.5 | 3199.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.12 | 5.12 | 7598.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 619.0 | nM | 6.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 1051.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 2547.0 | nM | 5.59 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Heat shock factor protein 1 | EC50 | = | 3199.0 | nM | 5.5 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 7598.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
Data from ChEMBL 36 via Core Engine