Compound Detail
CHEMBL1407632
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Basic Information
| ChEMBL ID | CHEMBL1407632 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPFHMTJHUZNTPZ-OWBHPGMISA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
2.67
ALogP
6
HBA
1
HBD
87.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.8 | 5.8 | 1577.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.2975 | 1683.0 | 4 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.42 | 5.42 | 3757.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 1577.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 1683.0 | nM | 5.77 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Unchecked | EC50 | = | 3630.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 3757.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 9140.0 | nM | 5.04 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Unchecked | EC50 | = | 11600.0 | nM | 4.94 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
Data from ChEMBL 36 via Core Engine