Compound Detail
CHEMBL1950598
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Basic Information
| ChEMBL ID | CHEMBL1950598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBGSDNPEMVBHRR-UKTHLTGXSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
336.5
MW (Da)
5.64
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.43
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.0
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | EC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily A member 1 | 3 |
| 22257892 | 10.1016/j.bmcl.2011.12.113 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine