Compound Detail
CHEMBL1594911
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Basic Information
| ChEMBL ID | CHEMBL1594911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNAZFNROEFHGSW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
3.51
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.43 | 5.43 | 3734.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.1 | 4.99 | 7920.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 3734.0 | nM | 5.43 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 7920.0 | nM | 5.1 | PUBCHEM_BIOASSAY: HCS for Compounds that Up-Regulate Insulin Promoter Activity i... | - |
| Unchecked | EC50 | = | 13300.0 | nM | 4.88 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
Data from ChEMBL 36 via Core Engine