Compound Detail
CHEMBL3191874
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Basic Information
| ChEMBL ID | CHEMBL3191874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOXLOCCSYKQCIW-QLEPDINUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.2
MW (Da)
3.05
ALogP
3
HBA
2
HBD
70.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.65
IC50 1 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.74 | 6.74 | 183.1 | 1 |
| BJ CHEMBL614358 | EC50 | 6.65 | 6.65 | 223.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.52 | 5.2967 | 300.0 | 3 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.96 | 5.96 | 1092.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 183.1 | nM | 6.74 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| BJ | EC50 | = | 223.0 | nM | 6.65 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 300.0 | nM | 6.52 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 1092.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Unchecked | EC50 | = | 17826.0 | nM | 4.75 | PUBCHEM_BIOASSAY: Luminescent Cell-Based Dose Titration Retest Counterscreen to ... | - |
| Unchecked | EC50 | = | 23800.0 | nM | 4.62 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
Data from ChEMBL 36 via Core Engine