Compound Detail
CHEMBL1479557
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Basic Information
| ChEMBL ID | CHEMBL1479557 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPPQCGYTXQLEKO-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.63
ALogP
5
HBA
1
HBD
77.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.3
IC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.3 | 6.3 | 499.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.14 | 6.14 | 727.0 | 1 |
| Voltage-gated T-type calcium channel CHEMBL2362995 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 499.0 | nM | 6.3 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 727.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Voltage-gated T-type calcium channel | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Voltage-dependent T-type calcium channel (unknown origin) by HTS a... | 35462165 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35462165 | 10.1016/j.ejmech.2022.114378 | Voltage-gated T-type calcium channel | 1 |
Data from ChEMBL 36 via Core Engine