Compound Detail
CHEMBL1570111
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Basic Information
| ChEMBL ID | CHEMBL1570111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUKSITNYAVYSEH-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
465.9
MW (Da)
1.86
ALogP
9
HBA
0
HBD
81.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.13
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 8.13 | 7.61 | 7.4 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.22 | 5.1067 | 6001.0 | 3 |
| HEK293 CHEMBL614818 | EC50 | 5.16 | 5.16 | 6920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | EC50 | = | 7.4 | nM | 8.13 | PubChem BioAssay. Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| Beta-2 adrenergic receptor | EC50 | = | 81.0 | nM | 7.09 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| HEK293 | IC50 | = | 6001.0 | nM | 5.22 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | EC50 | = | 6920.0 | nM | 5.16 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 7188.5 | nM | 5.14 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | IC50 | = | 10939.44 | nM | 4.96 | PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic co... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4888484 | Plasmodium falciparum | 4 |
Data from ChEMBL 36 via Core Engine