Compound Detail
CHEMBL1939831
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Basic Information
| ChEMBL ID | CHEMBL1939831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXPGGPGYHNTFCB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
4.61
ALogP
4
HBA
2
HBD
59.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 5.82 | 5.82 | 1500.0 | 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 | = | 160.0 | nM | 6.8 | Antagonist activity at rat TRPA1 expressed in HEK293 cells assessed as inhibitio... | 22222037 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 1500.0 | nM | 5.82 | Antagonist activity at human TRPA1 expressed in HEK293 cells assessed as inhibit... | 22222037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222037 | 10.1016/j.bmcl.2011.12.068 | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine