Compound Detail
CHEMBL1950584
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Basic Information
| ChEMBL ID | CHEMBL1950584 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MIZCMCLDFGJDHS-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.5
MW (Da)
5.47
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.52
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.68
IC50 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.55 | 5.55 | 2800.0 | 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 | EC50 | = | 2100.0 | nM | 5.68 | Agonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed as ... | 22257892 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 2800.0 | nM | 5.55 | 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 |
Data from ChEMBL 36 via Core Engine