Compound Detail
CHEMBL2057860
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 | CHEMBL2057860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZERVUJJTPTKLR-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
4.33
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.8
Ki 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 5.8 | 5.8 | 1580.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 5.37 | 5.37 | 4275.0 | 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 | EC50 | = | 1580.0 | nM | 5.8 | Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 4275.0 | nM | 5.37 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 22796184 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22796184 | 10.1016/j.bmcl.2012.06.059 | Transient receptor potential cation channel subfamily V member 1 | 4 |
Data from ChEMBL 36 via Core Engine