Compound Detail
CHEMBL80404
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Basic Information
| ChEMBL ID | CHEMBL80404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NATPMZZKCPESAR-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
310.5
MW (Da)
3.75
ALogP
3
HBA
3
HBD
53.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Vanilloid receptor CHEMBL2096684 | EC50 | 6.54 | 6.54 | 290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 100.0 | nM | 7.0 | Effective concentration for guinea pig ileum contraction in an in vitro assay | 8360883 |
| Vanilloid receptor | EC50 | = | 290.0 | nM | 6.54 | In vitro effective concentration for Ca++ uptake into dorsal root ganglia neuron... | 8360883 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8360883 | 10.1021/jm00068a016 | Vanilloid receptor | 1 |
| 8360883 | 10.1021/jm00068a016 | Cavia porcellus | 1 |
| 8360883 | 10.1021/jm00068a016 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine