Compound Detail
CHEMBL2425821
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Basic Information
| ChEMBL ID | CHEMBL2425821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDUANFXPOZTYKS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
454.2
MW (Da)
3.79
ALogP
5
HBA
2
HBD
105.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.26
Ki 1 meas. best 9.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | Ki | 9.23 | 9.23 | 0.6 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | Ki | = | 0.589 | nM | 9.23 | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells... | 23888932 |
| G-protein coupled receptor 35 | EC50 | = | 5.54 | nM | 8.26 | Agonist activity at C-terminal beta-galactosidase tagged human recombinant GPR35... | 23888932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23888932 | 10.1021/jm4009373 | G-protein coupled receptor 35 | 3 |
Data from ChEMBL 36 via Core Engine