Compound Detail
CHEMBL2057859
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Basic Information
| ChEMBL ID | CHEMBL2057859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDSONJCLOSGFGI-VAWYXSNFSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
431.7
MW (Da)
7.62
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
Ki 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.65 | 6.65 | 226.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 6.17 | 6.17 | 678.0 | 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 | = | 226.0 | nM | 6.65 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 678.0 | nM | 6.17 | Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake | 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 | 3 |
Data from ChEMBL 36 via Core Engine