Compound Detail
CHEMBL5558033
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Basic Information
| ChEMBL ID | CHEMBL5558033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TZHDABLSSVGCNR-CPNJWEJPSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
292.3
MW (Da)
4.40
ALogP
4
HBA
1
HBD
58.6
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.62
EC50 1 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 5.62 | 5.62 | 2390.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.06 | 5.06 | 8640.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | IC50 | 5.06 | 5.06 | 8640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 2390.0 | nM | 5.62 | Agonist activity at rat TRPA1 expressed in HEK293 cells | 37269667 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 2390.0 | nM | 5.62 | Antagonist activity at rat TRPA1 assessed as inhibition of AITC-induced increase... | 37713804 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 2390.0 | nM | 5.62 | Inhibition of TRPA1 (unknown origin) | 37269667 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 8640.0 | nM | 5.06 | Antagonist activity at rat TRPV1 assessed as inhibition of capsaicin-induced inc... | 37713804 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 8640.0 | nM | 5.06 | Inhibition of TRPV1 (unknown origin) | 37269667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| 37713804 | 10.1016/j.ejmech.2023.115806 | Transient receptor potential cation channel subfamily V member 1 | 1 |
| 37713804 | 10.1016/j.ejmech.2023.115806 | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine