Compound Detail
CHEMBL1540557
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Basic Information
| ChEMBL ID | CHEMBL1540557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAGYVANRLKJATI-LCYFTJDESA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
2.38
ALogP
5
HBA
2
HBD
93.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.62
IC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.62 | 5.62 | 2385.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.56 | 5.56 | 2726.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.04 | 5.04 | 9166.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 4.95 | 4.95 | 11336.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 2385.0 | nM | 5.62 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Unchecked | EC50 | = | 2726.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
| Beta Lactamase | IC50 | = | 9166.0 | nM | 5.04 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of TLR9-MyD88 binding: fluorescen... | - |
| Toll-like receptor 9 | IC50 | = | 11336.0 | nM | 4.95 | PUBCHEM_BIOASSAY: Fluorescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine