Compound Detail
CHEMBL1084857
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Basic Information
| ChEMBL ID | CHEMBL1084857 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCAGWVPJUUSEHZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
409.2
MW (Da)
5.87
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.42
IC50 1 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 8.42 | 8.42 | 3.8 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 5.85 | 5.85 | 1400.0 | 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 | = | 3.8 | nM | 8.42 | Agonist activity at TRPA1 channel in rat DRG neurons assessed as increase in int... | 20356305 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 1400.0 | nM | 5.85 | Antagonist activity at human TRPA1 channel assessed as inhibition of allyl isoth... | 20356305 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine