Compound Detail
CHEMBL3684330
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Basic Information
| ChEMBL ID | CHEMBL3684330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXCIEPTXZCCLIC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
480.6
MW (Da)
4.69
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.56 | 7.43 | 27.7 | 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 | = | 27.7 | nM | 7.56 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 28838698 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 50.2 | nM | 7.3 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28838698 | 10.1016/j.bmcl.2017.08.020 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine