Compound Detail
CHEMBL1572785
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Basic Information
| ChEMBL ID | CHEMBL1572785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRLLJSDEQYBGQN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1624721 |
| Active Moiety | CHEMBL1624721 |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
281.4
MW (Da)
3.88
ALogP
1
HBA
0
HBD
6.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.74
EC50 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.74 | 5.74 | 1816.1 | 1 |
| G-protein coupled receptor 55 CHEMBL1075322 | IC50 | 5.69 | 5.69 | 2050.6 | 1 |
| Catenin beta-1 CHEMBL5866 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.91 | 4.91 | 12330.0 | 1 |
| Endoribonuclease toxin MazF CHEMBL1795096 | EC50 | 4.05 | 4.05 | 89500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1816.12 | nM | 5.74 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| G-protein coupled receptor 55 | IC50 | = | 2050.64 | nM | 5.69 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of... | - |
| Catenin beta-1 | IC50 | = | 9200.0 | nM | 5.04 | PUBCHEM_BIOASSAY: High Throughput Imaging Assay for Beta-Casein. High Throughput... | - |
| Unchecked | IC50 | = | 12330.0 | nM | 4.91 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Endoribonuclease toxin MazF | EC50 | = | 89500.0 | nM | 4.05 | PUBCHEM_BIOASSAY: Dose response confirmation uHTS hits for MazEF TA System activ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/EOS300108 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine