Compound Detail
CHEMBL1950585
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Basic Information
| ChEMBL ID | CHEMBL1950585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KSQWYVJTNHTCLR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
248.4
MW (Da)
3.52
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 4.25 | 4.25 | 56100.0 | 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 | = | 56100.0 | nM | 4.25 | Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed ... | 22257892 |
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 |
| 29135250 | 10.1021/acs.jmedchem.7b01426 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine