Compound Detail
CHEMBL3398238
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Basic Information
| ChEMBL ID | CHEMBL3398238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXXDCEYHRXKDJR-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
3.80
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.85
IC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.85 | 5.85 | 1410.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.77 | 5.77 | 1710.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25666822 | 10.1016/j.bmcl.2015.01.039 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 25666822 | 10.1016/j.bmcl.2015.01.039 | Transient receptor potential cation channel subfamily A member 1 | 3 |
Data from ChEMBL 36 via Core Engine