Compound Detail
CHEMBL1950595
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Basic Information
| ChEMBL ID | CHEMBL1950595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KOJGDUNEMGGIAC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
5.13
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 5.44 | 5.44 | 3600.0 | 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 | IC50 | = | 3600.0 | nM | 5.44 | Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed ... | 22257892 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 3600.0 | nM | 5.44 | Inhibition of TRPA1 (unknown origin) | 37269667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 37269667 | 10.1016/j.ejmech.2023.115392 | 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