Compound Detail
CHEMBL3593946
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Basic Information
| ChEMBL ID | CHEMBL3593946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATKWJXUJUNLTFU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
165.2
MW (Da)
2.00
ALogP
3
HBA
1
HBD
32.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 4.7 | 4.7 | 20000.0 | 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 | = | 20000.0 | nM | 4.7 | Activation of human TRPA1 expressed in TREx-HEK cells by Fluo-4 AM dye-based Ca2... | 26263397 |
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 | 4 |
| 26263397 | 10.1021/acs.jnatprod.5b00272 | ADMET | 2 |
| 26263397 | 10.1021/acs.jnatprod.5b00272 | Transient receptor potential cation channel subfamily M member 8 | 1 |
Data from ChEMBL 36 via Core Engine