Compound Detail
CHEMBL177219
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Basic Information
| ChEMBL ID | CHEMBL177219 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLRBXYURHNSELP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.61
ALogP
3
HBA
1
HBD
48.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
IC50 1 meas. best 5.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.64 | 5.64 | 2280.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | EC50 | 5.14 | 5.14 | 7290.0 | 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 | = | 2280.0 | nM | 5.64 | Inhibition of human transient receptor potential vanilloid 1 receptor (n=4) | 15771431 |
| Transient receptor potential cation channel subfamily V member 1 | EC50 | = | 7290.0 | nM | 5.14 | Effective concentration against rat transient receptor potential vanilloid 1 rec... | 15771431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15771431 | 10.1021/jm0495071 | Transient receptor potential cation channel subfamily V member 1 | 4 |
Data from ChEMBL 36 via Core Engine