Compound Detail
CHEMBL1716874
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Basic Information
| ChEMBL ID | CHEMBL1716874 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZWSVMYPLKKOOE-CNHKJKLMSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
353.4
MW (Da)
1.36
ALogP
6
HBA
2
HBD
80.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.96 | 5.7333 | 1107.1 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1107.14 | nM | 5.96 | PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists of GPR35. High conte... | - |
| G-protein coupled receptor 35 | IC50 | = | 2290.0 | nM | 5.64 | PUBCHEM_BIOASSAY: SAR Analysis for the identification of Selective Antagonists o... | - |
| G-protein coupled receptor 35 | IC50 | = | 2490.0 | nM | 5.6 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the GPR35 Receptor using an Ima... | - |
Data from ChEMBL 36 via Core Engine