Compound Detail
CHEMBL80199
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Basic Information
| ChEMBL ID | CHEMBL80199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOCAWXSFTWGGPT-WEVVVXLNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
2.64
ALogP
5
HBA
2
HBD
101.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vanilloid receptor CHEMBL2096684 | EC50 | 5.34 | 5.34 | 4580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vanilloid receptor | EC50 | = | 4580.0 | nM | 5.34 | 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 |
Data from ChEMBL 36 via Core Engine