Compound Detail
CHEMBL178939
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Basic Information
| ChEMBL ID | CHEMBL178939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSHYHGSBJWRAQZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
361.2
MW (Da)
4.57
ALogP
3
HBA
2
HBD
66.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 6.72 | 6.72 | 189.0 | 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 | = | 189.0 | nM | 6.72 | Inhibition of binding to human vanilloid receptor subtype VR1 | 15689158 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689158 | 10.1021/jm0492958 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine