Compound Detail
CHEMBL1818213
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Basic Information
| ChEMBL ID | CHEMBL1818213 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HNOBYWZQMVJKNE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
456.6
MW (Da)
2.94
ALogP
6
HBA
2
HBD
90.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.25 | 5.25 | 5600.0 | 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 | = | 5600.0 | nM | 5.25 | Agonist activity at rat TRPA1 channel expressed in HEK293 cells assessed as calc... | 21741838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21741838 | 10.1016/j.bmcl.2011.06.035 | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine