Compound Detail
CHEMBL4098431
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Basic Information
| ChEMBL ID | CHEMBL4098431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZMFNOHRIULKSCC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.2
MW (Da)
4.60
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | IC50 | 7.28 | 7.28 | 53.0 | 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 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of full length rat TRPA1 at a holding potential of 15 mV measured aft... | 28626530 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 53.0 | nM | 7.28 | Inhibition of full length human TRPA1 at a holding potential of 15 mV measured a... | 28626530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28626530 | 10.1021/acsmedchemlett.7b00140 | Transient receptor potential cation channel subfamily A member 1 | 2 |
Data from ChEMBL 36 via Core Engine