Compound Detail
CHEMBL47820
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Basic Information
| ChEMBL ID | CHEMBL47820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMWGXMMOGHTOKI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
3.94
ALogP
4
HBA
3
HBD
79.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vanilloid receptor CHEMBL2096684 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vanilloid receptor | IC50 | = | 2400.0 | nM | 5.62 | In vitro inhibitory concentration was determined against [45Ca2+]- influx in rat... | 15026052 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15026052 | 10.1016/j.bmcl.2004.01.041 | Vanilloid receptor | 2 |
Data from ChEMBL 36 via Core Engine