Compound Detail
CHEMBL3342376
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Basic Information
| ChEMBL ID | CHEMBL3342376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPAGKZRGNWDPCR-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.56
ALogP
7
HBA
3
HBD
108.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 9.74 | 9.13 | 0.2 | 2 |
| Protein Gpr39 CHEMBL3091267 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| G-protein coupled receptor 39 CHEMBL3341584 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.4 | 6.4 | 400.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 33.6 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 0.18 | nM | 9.74 | Agonist activity at human GPR39 expressed in HEK293 cells by cAMP assay | 25313322 |
| G-protein coupled receptor 39 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at human GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
| Protein Gpr39 | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
| G-protein coupled receptor 39 | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at mouse GPR39 expressed in HEK293 cells by IP1 assay | 25313322 |
| NON-PROTEIN TARGET | EC50 | = | 400.0 | nM | 6.4 | Protection against cytokine-induced cell death in rat INS-1E cells assessed as c... | 25313322 |
| Unchecked | EC50 | = | 1300.0 | nM | 5.89 | Induction of GLP1 secretion in mouse STC1 cells incubated for 2 hrs by fluoresce... | 25313322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25313322 | 10.1021/ml500240d | G-protein coupled receptor 39 | 4 |
| 25313322 | 10.1021/ml500240d | Unchecked | 2 |
| 25313322 | 10.1021/ml500240d | Liver microsome | 1 |
| 25313322 | 10.1021/ml500240d | Protein Gpr39 | 1 |
| 25313322 | 10.1021/ml500240d | NON-PROTEIN TARGET | 1 |
| 25313322 | 10.1021/ml500240d | ADMET | 1 |
| 25313322 | 10.1021/ml500240d | Mus musculus | 1 |
| 25313322 | 10.1021/ml500240d | Plasma | 1 |
Data from ChEMBL 36 via Core Engine