Compound Detail
CHEMBL5421918
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Basic Information
| ChEMBL ID | CHEMBL5421918 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXEVFBMIKLHKQY-CXUHLZMHSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
332.5
MW (Da)
5.04
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.1
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 | IC50 | = | 800.0 | nM | 6.1 | Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibit... | 38408345 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase i... | 38408345 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 7900.0 | nM | 5.1 | Antagonist activity at rat TRPA1 transfected in HEK293 cells assessed as desensi... | 38408345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38408345 | 10.1021/acs.jnatprod.3c00831 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 38408345 | 10.1021/acs.jnatprod.3c00831 | Transient receptor potential cation channel subfamily M member 8 | 1 |
| 38408345 | 10.1021/acs.jnatprod.3c00831 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine