Compound Detail
CHEMBL214607
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Basic Information
| ChEMBL ID | CHEMBL214607 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLZAAONIJRKRLZ-GFCCVEGCSA-N |
2
Targets
3
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.86
ALogP
3
HBA
1
HBD
48.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.77 | 7.77 | 17.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 39.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 27.0 | % | Rattus norvegicus |
| T1/2 | 7.2 | hr | Rattus norvegicus |
| Tmax | 0.5 | hr | Rattus norvegicus |
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 | IC50 | = | 11.0 | nM | 7.96 | Antagonist activity against low pH(5.0-5.5)-activated rat VR1 | 16870426 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 17.0 | nM | 7.77 | Antagonist activity against capsaicin-activated human VR1 by FLIPR assay | 16870426 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of human TRPV1 | 20307063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16870426 | 10.1016/j.bmcl.2006.07.010 | Rattus norvegicus | 5 |
| 16870426 | 10.1016/j.bmcl.2006.07.010 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 20307063 | 10.1021/jm100051g | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 20615696 | 10.1016/j.bmcl.2010.06.069 | Amine oxidase [flavin-containing] B | 1 |
Data from ChEMBL 36 via Core Engine