Compound Detail
CHEMBL327228
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Basic Information
| ChEMBL ID | CHEMBL327228 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKPILXKEMJWKBI-UHFFFAOYSA-N |
3
Targets
5
Activities
3
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
3.31
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.6
EC50 1 meas. best 7.39
Ki 1 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 7.39 | 7.39 | 41.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 6.45 | 6.45 | 354.0 | 1 |
| Brain CHEMBL613617 | IC50 | 4.6 | 4.6 | 25090.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 4.59 | 4.59 | 25900.0 | 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 | = | 41.0 | nM | 7.39 | Agonist activity at rat TRPV1 expressed in CHO cells assessed as calcium uptake | 22796184 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 354.0 | nM | 6.45 | Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells | 22796184 |
| Brain | IC50 | = | 25090.0 | nM | 4.6 | Inhibition of lipid peroxidation in Sprague-Dawley rat brain after 30 mins by TB... | 18249541 |
| Rattus norvegicus | IC50 | = | 25900.0 | nM | 4.59 | Compound was tested for its inhibitory concentration against formation of lipid ... | 12182869 |
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 |
| 12182869 | 10.1016/s0960-894x(02)00479-1 | Rattus norvegicus | 2 |
| 18249541 | 10.1016/j.bmcl.2008.01.061 | Brain | 1 |
Data from ChEMBL 36 via Core Engine