Compound Detail
CHEMBL1517609
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Basic Information
| ChEMBL ID | CHEMBL1517609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKOSSXUIKLPQDO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1623159 |
| Active Moiety | CHEMBL1623159 |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
3.78
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.14
IC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.14 | 5.99 | 725.0 | 2 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.8 | 5.8 | 1570.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.79 | 5.79 | 1623.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.54 | 5.54 | 2906.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 725.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 1448.0 | nM | 5.84 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| G-protein coupled receptor 55 | IC50 | = | 1570.0 | nM | 5.8 | PUBCHEM_BIOASSAY: SAR Analysis of Selective Antagonists of GPR55 using an Image-... | - |
| G-protein coupled receptor 35 | IC50 | = | 1622.95 | nM | 5.79 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 2906.0 | nM | 5.54 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
Data from ChEMBL 36 via Core Engine