Compound Detail
CHEMBL1557186
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Basic Information
| ChEMBL ID | CHEMBL1557186 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWAVUNOLBUFTGD-XFFZJAGNSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
2.86
ALogP
4
HBA
0
HBD
25.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.01
EC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.57 | 5.57 | 2706.0 | 1 |
| Insulin-degrading enzyme CHEMBL1293287 | IC50 | 5.01 | 5.01 | 9739.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14041.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 2706.0 | nM | 5.57 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Insulin-degrading enzyme | IC50 | = | 9739.0 | nM | 5.01 | PUBCHEM_BIOASSAY: Dose Response: Fluorescence polarization-based cell-based high... | - |
| Unchecked | IC50 | = | 14041.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Counterscreen for IDE inhibitors: Luminescence-based cell-base... | - |
Data from ChEMBL 36 via Core Engine