Compound Detail
CHEMBL442070
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Basic Information
| ChEMBL ID | CHEMBL442070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DJXLLQTVRLSWNR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
3.39
ALogP
4
HBA
2
HBD
63.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 5.73 | 5.73 | 1850.0 | 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 | = | 1850.0 | nM | 5.73 | Antagonist activity at human TRPV1 receptor by calcium influx assay | 17583335 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17583335 | 10.1021/jm070276i | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine