Compound Detail
CHEMBL1830823
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Basic Information
| ChEMBL ID | CHEMBL1830823 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KJFIZDKBEUTEPR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.9
MW (Da)
3.02
ALogP
3
HBA
1
HBD
67.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.76
IC50 1 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 5.76 | 5.76 | 1749.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | IC50 | = | 1080.0 | nM | 5.97 | Agonist activity at GPR35 in human HT-29 cells assessed as induction of cell des... | 27976894 |
| G-protein coupled receptor 35 | EC50 | = | 1750.0 | nM | 5.76 | Agonist activity at GPR35 in human HT-29 cells by DMR assay | 27976894 |
| G-protein coupled receptor 35 | EC50 | = | 1749.85 | nM | 5.76 | 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 | 4 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] A | 1 |
| 21872365 | 10.1016/j.ejmech.2011.07.017 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine