Compound Detail
CHEMBL5415083
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Basic Information
| ChEMBL ID | CHEMBL5415083 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQKMAJQVCJOPAM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.6
MW (Da)
2.11
ALogP
6
HBA
2
HBD
110.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 35 CHEMBL1293267 | EC50 | 7.54 | 7.54 | 28.8 | 1 |
| G-protein coupled receptor 35 CHEMBL2390813 | EC50 | 7.37 | 7.37 | 42.5 | 1 |
| Unchecked CHEMBL612545 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 35 | EC50 | = | 28.8 | nM | 7.54 | Agonist activity at human GPR35 expressed in HEK293 cells co-expressing Galpha16... | 37976806 |
| G-protein coupled receptor 35 | EC50 | = | 42.5 | nM | 7.37 | Agonist activity at mouse GPR35 expressed in HEK293 cells co-expressing Galpha16... | 37976806 |
| Unchecked | EC50 | = | 63.0 | nM | 7.2 | Agonist activity at rat GPR35 expressed in HEK293 cells co-expressing Galpha16 a... | 37976806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37976806 | 10.1016/j.bmc.2023.117511 | G-protein coupled receptor 35 | 4 |
| 37976806 | 10.1016/j.bmc.2023.117511 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine