Compound Detail
CHEMBL3581054
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Basic Information
| ChEMBL ID | CHEMBL3581054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBKUXPTYBVLCEK-JOCHJYFZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
414.4
MW (Da)
4.66
ALogP
4
HBA
2
HBD
56.6
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.97
Ki 1 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | Ki | 5.99 | 5.99 | 1030.0 | 1 |
| Sodium channel protein type 9 subunit alpha CHEMBL4296 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 9 subunit alpha | Ki | = | 1030.0 | nM | 5.99 | Inhibition of Nav1.7 (unknown origin) by electrophysiological assay | 25466191 |
| Sodium channel protein type 9 subunit alpha | IC50 | = | 1080.0 | nM | 5.97 | Inhibition of Nav1.7 (unknown origin) expressed in CHO cells after 45 mins by FL... | 25466191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25466191 | 10.1016/j.bmcl.2014.11.025 | Sodium channel protein type 9 subunit alpha | 2 |
| 25466191 | 10.1016/j.bmcl.2014.11.025 | No relevant target | 2 |
| 25466191 | 10.1016/j.bmcl.2014.11.025 | Liver microsome | 2 |
Data from ChEMBL 36 via Core Engine