Compound Detail
CHEMBL439855
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Basic Information
| ChEMBL ID | CHEMBL439855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCCAZXHLWPASRC-QHHAFSJGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
435.4
MW (Da)
3.36
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.82 | 7.61 | 15.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of capsaicin-induced calcium uptake by transient receptor potential v... | 15634002 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 40.0 | nM | 7.4 | Inhibition of pH-induced calcium uptake by transient receptor potential vanilloi... | 15634002 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15634002 | 10.1021/jm049485i | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine