Compound Detail
CHEMBL5410813
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Basic Information
| ChEMBL ID | CHEMBL5410813 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMJIPRAJBQVSJQ-IKFRKZOMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
4.73
ALogP
4
HBA
4
HBD
98.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.07
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL5011 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.07 | 5.07 | 8500.0 | 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 | = | 5200.0 | nM | 5.28 | Antagonist activity at rat TRPM8 transfected in HEK293 cells assessed as inhibit... | 38408345 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 8500.0 | nM | 5.07 | Agonist activity at rat TRPA1 transfected in HEK293 cells assessed as increase i... | 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 |
Data from ChEMBL 36 via Core Engine