Compound Detail
CHEMBL574688
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Basic Information
| ChEMBL ID | CHEMBL574688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIBXPFAXPUDDTK-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
189.3
MW (Da)
3.01
ALogP
3
HBA
0
HBD
12.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.83
EC50 1 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 6.24 | 6.24 | 580.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.83 | 4.675 | 14800.0 | 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 | = | 580.0 | nM | 6.24 | Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2... | 26263397 |
| NON-PROTEIN TARGET | IC50 | = | 14800.0 | nM | 4.83 | Growth inhibition of mouse J774.1 cells assessed as cell viability after 24 hrs ... | 19716210 |
| NON-PROTEIN TARGET | IC50 | = | 30400.0 | nM | 4.52 | Antiinflammatory activity in mouse J774.1 cells assessed as inhibition of IFN-ga... | 19716210 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26263397 | 10.1021/acs.jnatprod.5b00272 | Transient receptor potential cation channel subfamily A member 1 | 4 |
| 26263397 | 10.1021/acs.jnatprod.5b00272 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 19716210 | 10.1016/j.ejmech.2009.08.005 | NON-PROTEIN TARGET | 2 |
| 26263397 | 10.1021/acs.jnatprod.5b00272 | ADMET | 1 |
| 26263397 | 10.1021/acs.jnatprod.5b00272 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine