Compound Detail
CHEMBL4062531
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Basic Information
| ChEMBL ID | CHEMBL4062531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPQNNRVXFAYIEC-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
323.1
MW (Da)
1.74
ALogP
6
HBA
1
HBD
93.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.83
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 4.85 | 4.85 | 14130.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.83 | 4.83 | 14760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 14130.0 | nM | 4.85 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell des... | 27976894 |
| G-protein coupled receptor 35 | EC50 | = | 14760.0 | nM | 4.83 | Agonist activity at GPR35 in human HT-29 cells by DMR assay | 27976894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27976894 | 10.1021/acs.jmedchem.6b01431 | G-protein coupled receptor 35 | 3 |
Data from ChEMBL 36 via Core Engine