Compound Detail
CHEMBL189640
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Basic Information
| ChEMBL ID | CHEMBL189640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DQNKXUBAOWGSIA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
391.6
MW (Da)
4.25
ALogP
3
HBA
3
HBD
70.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 5.17 | 5.095 | 6800.0 | 2 |
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 | = | 6800.0 | nM | 5.17 | Antagonist activity for rat TRPV1 expressed in CHO cells | 16005215 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 9560.0 | nM | 5.02 | In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX | 16005215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16005215 | 10.1016/j.bmcl.2005.06.009 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine