Compound Detail
CHEMBL1580272
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Basic Information
| ChEMBL ID | CHEMBL1580272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYSDAGVXAVMNPW-UHFFFAOYSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
363.2
MW (Da)
4.67
ALogP
5
HBA
0
HBD
82.3
PSA (Ų)
0.29
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.92
IC50 3 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.92 | 5.6733 | 119.0 | 3 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.35 | 6.35 | 444.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.29 | 5.1333 | 5092.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 119.0 | nM | 6.92 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 444.0 | nM | 6.35 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | IC50 | = | 5092.0 | nM | 5.29 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | EC50 | = | 5407.0 | nM | 5.27 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | IC50 | = | 8400.0 | nM | 5.08 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 9260.0 | nM | 5.03 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | EC50 | = | 14640.0 | nM | 4.83 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
Data from ChEMBL 36 via Core Engine