Compound Detail
CHEMBL3092410
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Basic Information
| ChEMBL ID | CHEMBL3092410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZMDNRBQKUIHKB-VQTJNVASSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
3.55
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 39 CHEMBL3091266 | EC50 | 6.72 | 6.4 | 190.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 39 | EC50 | = | 190.0 | nM | 6.72 | Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed a... | 24900608 |
| G-protein coupled receptor 39 | EC50 | = | 840.0 | nM | 6.08 | Agonist activity at recombinant human GPR39 expressed in CHO-K1 cells assessed a... | 24900608 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900608 | 10.1021/ml400275z | G-protein coupled receptor 39 | 6 |
| 24900608 | 10.1021/ml400275z | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine