Compound Detail
CHEMBL3694601
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CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Nc2ccc(CNS(C)(=O)=O)c(F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3694601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NAXMRUCVDLYTPD-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
517.5
MW (Da)
3.85
ALogP
5
HBA
3
HBD
103.4
PSA (Ų)
0.48
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.3 | 8.096 | 5.0 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27317643 | 10.1016/j.bmcl.2016.06.010 | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 28892388 | 10.1021/acs.jmedchem.7b00859 | Transient receptor potential cation channel subfamily V member 1 | 3 |
Data from ChEMBL 36 via Core Engine