Compound Detail
CHEMBL3342359
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Basic Information
| ChEMBL ID | CHEMBL3342359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYYAWWCGBSMEAW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.3
MW (Da)
2.40
ALogP
5
HBA
2
HBD
62.7
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3341584 | EC50 | 6.94 | 6.94 | 115.0 | 1 |
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 6.79 | 6.79 | 164.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 115.0 | nM | 6.94 | Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
| G-protein coupled receptor 39 | EC50 | = | 164.0 | nM | 6.79 | Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25313322 | 10.1021/ml500240d | G-protein coupled receptor 39 | 2 |
Data from ChEMBL 36 via Core Engine