Compound Detail
CHEMBL4083614
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Basic Information
| ChEMBL ID | CHEMBL4083614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKZGMZSGZNYAPI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.8
MW (Da)
3.10
ALogP
7
HBA
2
HBD
110.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 8.7 | 8.015 | 2.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq ... | 28045522 |
| G-protein coupled receptor 39 | EC50 | = | 47.0 | nM | 7.33 | Agonist activity at human GPR39 expressed in HEK293 cells co-expressing Galphaq ... | 28045522 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28045522 | 10.1021/acs.jmedchem.6b00648 | G-protein coupled receptor 39 | 2 |
Data from ChEMBL 36 via Core Engine