Compound Detail
CHEMBL2392181
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Basic Information
| ChEMBL ID | CHEMBL2392181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYGXQSMAAKFUQK-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
105.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.44
Ki 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor GPR35 CHEMBL2390812 | EC50 | 5.44 | 5.44 | 3610.0 | 1 |
| G-protein coupled receptor 35 CHEMBL1293267 | Ki | 5.09 | 5.09 | 8060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor GPR35 | EC50 | = | 3610.0 | nM | 5.44 | Agonist activity at rat GPR35 expressed in CHO cells assessed as induction of be... | 23713606 |
| G-protein coupled receptor 35 | Ki | = | 8060.0 | nM | 5.09 | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells... | 23888932 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23713606 | 10.1021/jm400587g | G-protein coupled receptor 55 | 2 |
| 23713606 | 10.1021/jm400587g | G protein-coupled receptor GPR35 | 2 |
| 23713606 | 10.1021/jm400587g | G-protein coupled receptor 35 | 2 |
| 23888932 | 10.1021/jm4009373 | G-protein coupled receptor 35 | 1 |
Data from ChEMBL 36 via Core Engine