Compound Detail
CHEMBL402589
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Basic Information
| ChEMBL ID | CHEMBL402589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CZKBLHCEDVWPRN-JXMROGBWSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
201.2
MW (Da)
1.64
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 6.1 | 6.1 | 800.0 | 2 |
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 | EC50 | = | 800.0 | nM | 6.1 | Activation of TRPA1 | 17237762 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 800.0 | nM | 6.1 | Agonist activity at human TRPA1 channel expressed in HEK293 cells assessed as in... | 20356305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17237762 | 10.1038/nature05544 | Transient receptor potential cation channel subfamily A member 1 | 4 |
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine