Compound Detail
CHEMBL3927599
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
Basic Information
| ChEMBL ID | CHEMBL3927599 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGYVWWLZOMQVRF-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.4
MW (Da)
4.10
ALogP
5
HBA
0
HBD
60.9
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | IC50 | = | 5.0 | nM | 8.3 | In Vitro Assay: The assay is based on the guanidine influx assay described by Re... | - |
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Guanidine Influx Assay: A radiotracer flux assay used to determine ion flux acti... | - |
Data from ChEMBL 36 via Core Engine