Compound Detail
CHEMBL1950596
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1950596 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDTCCLMIQQZZNE-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
354.5
MW (Da)
4.84
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.03
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.03 | 5.03 | 9400.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL5160 | IC50 | 4.8 | 4.8 | 15800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 9400.0 | nM | 5.03 | Antagonist activity at human TRPV1 ion channel expressed in HEK293 cells assesse... | 22257892 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 14600.0 | nM | 4.84 | Agonist activity at human TRPV1 ion channel expressed in HEK293 cells assessed a... | 22257892 |
| Transient receptor potential cation channel subfamily A member 1 | IC50 | = | 15800.0 | nM | 4.8 | Antagonist activity at rat TRPA1 ion channel expressed in HEK293 cells assessed ... | 22257892 |
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