Compound Detail
CHEMBL104892
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 | CHEMBL104892 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQWWEIQNCBMVAL-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
331.3
MW (Da)
4.90
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Ki 1 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 6.8 | 6.8 | 160.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.65 | 6.65 | 225.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 160.0 | nM | 6.8 | Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 ... | 15149643 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 225.0 | nM | 6.65 | Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HE... | 15149643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149643 | 10.1016/s0960-894x(04)00533-5 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine