Compound Detail
CHEMBL1368962
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Basic Information
| ChEMBL ID | CHEMBL1368962 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMOURXCDGUPWHH-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
524.1
MW (Da)
5.97
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.32
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.12
EC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 6.26 | 6.26 | 550.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 6.12 | 5.4133 | 768.0 | 3 |
| Beta-2 adrenergic receptor CHEMBL210 | EC50 | 5.76 | 5.76 | 1740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | EC50 | = | 550.0 | nM | 6.26 | Antagonist activity at human N-terminal HA-tagged GPR35a expressed in human U2OS... | 27989666 |
| G-protein coupled receptor 35 | IC50 | = | 768.05 | nM | 6.12 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| Beta-2 adrenergic receptor | EC50 | = | 1740.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... | - |
| G-protein coupled receptor 35 | IC50 | = | 4560.0 | nM | 5.34 | Antagonist activity at HA tagged GPR35a (unknown origin) expressed in human U2OS... | 27989666 |
| G-protein coupled receptor 35 | IC50 | = | 16530.0 | nM | 4.78 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27989666 | 10.1016/j.bmcl.2016.12.012 | G-protein coupled receptor 35 | 2 |
Data from ChEMBL 36 via Core Engine