Compound Detail
CHEMBL2429871
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2429871 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KVHRKRHSVKQZIJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
160.2
MW (Da)
2.14
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.54
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.62 | 4.62 | 24200.0 | 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 | = | 24200.0 | nM | 4.62 | 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