Compound Detail
CHEMBL5404545
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 | CHEMBL5404545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXDLLQMNOWPXIV-KPKJPENVSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
3.88
ALogP
4
HBA
4
HBD
115.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.55
IC50 1 meas. best 4.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 4.55 | 4.55 | 28300.0 | 1 |
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 4.53 | 4.53 | 29500.0 | 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 | = | 28300.0 | nM | 4.55 | Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase i... | 38408345 |
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 29500.0 | nM | 4.53 | Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibit... | 38408345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38408345 | 10.1021/acs.jnatprod.3c00831 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 38408345 | 10.1021/acs.jnatprod.3c00831 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine