Compound Detail
CHEMBL487732
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 | CHEMBL487732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WWMLUCZLWNRNST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
268.4
MW (Da)
3.18
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 5.35 | 5.35 | 4500.0 | 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 | = | 4500.0 | nM | 5.35 | Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed ... | 22257892 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of TRPA1 (unknown origin) | 37269667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 18517258 | 10.1021/jm8001795 | Estrogen receptor | 1 |
| 18517258 | 10.1021/jm8001795 | Estrogen receptor beta | 1 |
| 20430632 | 10.1016/j.bmc.2010.04.007 | Estrogen receptor | 1 |
| 20430632 | 10.1016/j.bmc.2010.04.007 | Estrogen receptor beta | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine