Compound Detail
CHEMBL3689057
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Basic Information
| ChEMBL ID | CHEMBL3689057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHOABVDHYAEXMO-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
411.8
MW (Da)
4.54
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.29 | 7.29 | 51.8 | 2 |
| Transient receptor potential cation channel subfamily V member 1 CHEMBL5102 | Ki | 7.07 | 7.07 | 85.0 | 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 | = | 51.8 | nM | 7.29 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 51.8 | nM | 7.29 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 34273488 |
| Transient receptor potential cation channel subfamily V member 1 | Ki | = | 85.0 | nM | 7.07 | FLIPR Assay: The agonistic or antagonistic effect of the substances to be tested... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34273488 | 10.1016/j.bmcl.2021.128266 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine