Compound Detail
CHEMBL105101
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Basic Information
| ChEMBL ID | CHEMBL105101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYRNGWCQDWNOSH-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
310.8
MW (Da)
4.46
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.13
Ki 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.01 | 7.01 | 98.0 | 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 | = | 74.0 | nM | 7.13 | Antagonistic activity towards human vanilloid receptor subtype 1 expressed in HE... | 15149643 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 98.0 | nM | 7.01 | Binding affinity towards human vanilloid receptor subtype 1 expressed in HEK293 ... | 15149643 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15149643 | 10.1016/s0960-894x(04)00533-5 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine