Compound Detail
CHEMBL3314395
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)nc1[C@H]1CC[C@@H](C(C)(C)C)CC1)c1ccc(NS(C)(=O)=O)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL3314395 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WACMEXRQSXAUTA-SNKASBEKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.6
MW (Da)
6.35
ALogP
4
HBA
2
HBD
88.2
PSA (Ų)
0.39
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily V member 1 CHEMBL4794 | Ki | 8.89 | 8.89 | 1.3 | 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 | = | 1.3 | nM | 8.89 | Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition... | 24948568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24948568 | 10.1016/j.bmcl.2014.05.074 | Transient receptor potential cation channel subfamily V member 1 | 1 |
Data from ChEMBL 36 via Core Engine