Compound Detail
CHEMBL228676
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Basic Information
| ChEMBL ID | CHEMBL228676 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYLVMGHNCVDXMB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.6
MW (Da)
4.01
ALogP
3
HBA
3
HBD
70.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.22 | 6.995 | 60.0 | 2 |
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 | = | 60.0 | nM | 7.22 | Antagonist activity at rat TRPV1 receptor expressed in CHO cells by Ca2+ uptake ... | 17629487 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 171.0 | nM | 6.77 | Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells | 17629487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17629487 | 10.1016/j.bmc.2007.06.041 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine