Compound Detail
CHEMBL1303401
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Basic Information
| ChEMBL ID | CHEMBL1303401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WHXCHRBROARPJL-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
458.5
MW (Da)
2.84
ALogP
5
HBA
1
HBD
78.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.04
IC50 1 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.04 | 5.44 | 912.0 | 2 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.49 | 5.49 | 3248.0 | 1 |
| Mitogen-activated protein kinase 10 CHEMBL2637 | IC50 | 5.08 | 5.08 | 8418.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 912.0 | nM | 6.04 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 3248.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Mitogen-activated protein kinase 10 | IC50 | = | 8418.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... | - |
| Unchecked | EC50 | = | 14298.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Data from ChEMBL 36 via Core Engine