Compound Detail
CHEMBL151442
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Basic Information
| ChEMBL ID | CHEMBL151442 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAGFPYLYQVHIAH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
325.8
MW (Da)
4.77
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Ki 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.01 | 8.01 | 9.8 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.68 | 7.68 | 21.0 | 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 | Ki | = | 9.8 | nM | 8.01 | Binding affinity towards cloned human vanilloid receptor subtype 1 in HEK293 cel... | 14698197 |
| Transient receptor potential cation channel subfamily V member 1 | IC50 | = | 21.0 | nM | 7.68 | Functional antagonistic activity against human vanilloid receptor subtype 1 in H... | 14698197 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14698197 | 10.1016/j.bmcl.2003.09.090 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine