Compound Detail
CHEMBL2042397
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Basic Information
| ChEMBL ID | CHEMBL2042397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIKHXVNRHXCTOE-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
418.6
MW (Da)
3.78
ALogP
4
HBA
2
HBD
84.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.63 | 6.45 | 232.0 | 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 | = | 232.0 | nM | 6.63 | Antagonist activity at rat TRPV1 receptor expressed in CHO cells assessed as dec... | 22169633 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 540.0 | nM | 6.27 | Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 ... | 22169633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22169633 | 10.1016/j.bmc.2011.11.008 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine