Compound Detail
CHEMBL5440996
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Basic Information
| ChEMBL ID | CHEMBL5440996 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVFZUNSYFRTUGN-OIBJUYFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.82
ALogP
3
HBA
1
HBD
33.1
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 470.0 | nM | 6.33 | Antagonist activity at human TRPA1 channel expressed in CHO-K1 cells tagged with... | 36622903 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 1200.0 | nM | 5.92 | Antagonist activity at rat TRPA1 channel expressed in CHO-K1 cells tagged with G... | 36622903 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36622903 | 10.1021/acs.jmedchem.2c01830 | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine