Compound Detail
CHEMBL1462008
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Basic Information
| ChEMBL ID | CHEMBL1462008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HURVNUBCCDEKRW-ZRDIBKRKSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
1.92
ALogP
5
HBA
1
HBD
65.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.69
IC50 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.69 | 6.2025 | 206.0 | 4 |
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.65 | 5.65 | 2218.0 | 1 |
| Catenin beta-1 CHEMBL5866 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| H4 CHEMBL1075452 | EC50 | 4.4 | 4.4 | 39528.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 206.0 | nM | 6.69 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation to Identify Activato... | - |
| Unchecked | EC50 | = | 325.0 | nM | 6.49 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 462.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Troponin, cardiac muscle | EC50 | = | 2218.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Catenin beta-1 | IC50 | = | 2900.0 | nM | 5.54 | PUBCHEM_BIOASSAY: High Throughput Imaging Assay for Beta-Casein. High Throughput... | - |
| Unchecked | EC50 | = | 4996.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| H4 | EC50 | = | 39528.0 | nM | 4.4 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine