Compound Detail
CHEMBL1993194
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1993194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVSZOJURNPPDIH-JLPGSUDCSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
3.48
ALogP
5
HBA
2
HBD
99.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.75
IC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.75 | 5.8233 | 178.0 | 3 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.55 | 6.55 | 279.0 | 1 |
| BJ CHEMBL614358 | EC50 | 6.25 | 6.25 | 558.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.01 | 6.01 | 980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 178.0 | nM | 6.75 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 279.0 | nM | 6.55 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| BJ | EC50 | = | 558.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compound... | - |
| Unchecked | IC50 | = | 980.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | EC50 | = | 3291.0 | nM | 5.48 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
| Unchecked | EC50 | = | 5709.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
Data from ChEMBL 36 via Core Engine