Compound Detail
CHEMBL2430162
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Basic Information
| ChEMBL ID | CHEMBL2430162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYYFKLSXFXNCHG-KMKOMSMNSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
190.2
MW (Da)
2.23
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.66
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.66 | 4.66 | 21700.0 | 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 | EC50 | = | 21700.0 | nM | 4.66 | Agonist activity at rat recombinant TRPA1 overexpressed in HEK293 cells assessed... | 23993334 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23993334 | 10.1016/j.bmcl.2013.08.039 | Transient receptor potential cation channel subfamily M member 8 | 4 |
| 23993334 | 10.1016/j.bmcl.2013.08.039 | Transient receptor potential cation channel subfamily A member 1 | 3 |
Data from ChEMBL 36 via Core Engine