Compound Detail
CHEMBL256738
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Basic Information
| ChEMBL ID | CHEMBL256738 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POKQFZURBRODMI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
155.2
MW (Da)
-0.36
ALogP
4
HBA
1
HBD
60.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 5.8 | 5.8 | 1580.0 | 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 | = | 1580.0 | nM | 5.8 | Activation of TRPA1 | 17237762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17237762 | 10.1038/nature05544 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 20356305 | 10.1021/jm100062h | Transient receptor potential cation channel subfamily A member 1 | 1 |
| 32886509 | 10.1021/acs.jmedchem.0c01006 | Botulinum neurotoxin type A | 1 |
Data from ChEMBL 36 via Core Engine