Compound Detail
CHEMBL1550816
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Basic Information
| ChEMBL ID | CHEMBL1550816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZNDPMAQPRLWSG-GXDHUFHOSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
397.3
MW (Da)
5.25
ALogP
5
HBA
1
HBD
61.6
PSA (Ų)
0.61
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 6.12 | 6.12 | 760.7 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.8 | 5.0625 | 1595.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 760.72 | nM | 6.12 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 1595.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Unchecked | EC50 | = | 8870.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| Unchecked | EC50 | = | 19000.0 | nM | 4.72 | PUBCHEM_BIOASSAY: Dose response counterscreen for uHTS small molecule activators... | - |
| Unchecked | EC50 | = | 20700.0 | nM | 4.68 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Data from ChEMBL 36 via Core Engine