Compound Detail
CHEMBL2442926
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C(=O)NCc1ccc(C(F)(F)F)nc1SCc1ccco1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL2442926 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIKOPVIOAAKJBY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
531.5
MW (Da)
4.92
ALogP
6
HBA
2
HBD
101.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 7.84 | 7.84 | 14.6 | 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 | = | 14.6 | nM | 7.84 | Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibiti... | 24035514 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24035514 | 10.1016/j.bmc.2013.08.015 | Transient receptor potential cation channel subfamily V member 1 | 2 |
Data from ChEMBL 36 via Core Engine