Compound Detail
CHEMBL165272
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 | CHEMBL165272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NWVSMWBHUXOVRR-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
3.18
ALogP
3
HBA
4
HBD
96.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Ki 1 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.19 | 6.19 | 650.0 | 1 |
| Vanilloid receptor CHEMBL2096684 | IC50 | 6.0 | 6.0 | 1000.0 | 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 | = | 650.0 | nM | 6.19 | In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX | 16005215 |
| Vanilloid receptor | IC50 | = | 1000.0 | nM | 6.0 | In vitro antagonist activity at the vanilloid receptor in rat DRG neurons. | 14741290 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16005215 | 10.1016/j.bmcl.2005.06.009 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 14741290 | 10.1016/j.bmcl.2003.11.019 | Vanilloid receptor | 2 |
Data from ChEMBL 36 via Core Engine