Compound Detail
CHEMBL2089221
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Basic Information
| ChEMBL ID | CHEMBL2089221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAASXQYAKXYCKY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.64
ALogP
4
HBA
5
HBD
130.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 4.97 | 4.81 | 10800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | EC50 | = | 10800.0 | nM | 4.97 | Agonist activity at human GPR35 expressed in U2OS cells coexpressing Gal4-VP16/b... | 24900508 |
| G-protein coupled receptor 35 | EC50 | = | 22600.0 | nM | 4.65 | Agonist activity at GPR35 in human HT-29 cells measured after 10 mins by dynamic... | 24900508 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900508 | 10.1021/ml300076u | G-protein coupled receptor 35 | 3 |
Data from ChEMBL 36 via Core Engine