Compound Detail
CHEMBL1349480
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Basic Information
| ChEMBL ID | CHEMBL1349480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNGMCMYHQMJNSX-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
321.4
MW (Da)
1.11
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.08
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.08 | 5.46 | 830.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 5.9 | 5.9 | 1250.0 | 1 |
| Ubiquitin-conjugating enzyme E2 N CHEMBL6089 | IC50 | 5.8 | 5.645 | 1585.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 830.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 1250.0 | nM | 5.9 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 1585.0 | nM | 5.8 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| Ubiquitin-conjugating enzyme E2 N | IC50 | = | 3271.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for the identification of U... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 14279.0 | nM | 4.84 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine