Compound Detail
CHEMBL3427111
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Cc1ccc(C(C(=O)NCc2ccc(C(F)(F)F)nc2SC2CCCCC2)c2ccc(NS(C)(=O)=O)c(F)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL3427111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OPIXMECYNNTCAZ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
609.7
MW (Da)
6.79
ALogP
5
HBA
2
HBD
88.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.12 | 8.12 | 7.5 | 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 | = | 7.5 | nM | 8.12 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 25937016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25937016 | 10.1016/j.bmcl.2015.04.024 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine