Compound Detail
CHEMBL1085103
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Basic Information
| ChEMBL ID | CHEMBL1085103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGCXWJVMYQZREN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.13
ALogP
3
HBA
0
HBD
38.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 9.4 | 9.32 | 0.4 | 2 |
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 | = | 0.4 | nM | 9.4 | Agonist activity at human TRPA1 expressed in T-REx-HEK293 cells assessed as incr... | 20806939 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 0.5754 | nM | 9.24 | Activation of human TRPA1 channel | 20356305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 20806939 | 10.1021/jm100477n | Transient receptor potential cation channel subfamily A member 1 | 1 |
Data from ChEMBL 36 via Core Engine