Compound Detail
CHEMBL466715
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 | CHEMBL466715 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAKOOJIYVSJBBE-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
2.59
ALogP
6
HBA
1
HBD
82.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1A2 CHEMBL3356 | IC50 | 6.5 | 6.5 | 315.0 | 1 |
| Sodium channel protein type 8 subunit alpha CHEMBL5202 | IC50 | 5.99 | 5.99 | 1030.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.17 | 4.765 | 6700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 1A2 | IC50 | = | 315.0 | nM | 6.5 | Inhibition of human recombinant CYP1A2 | 19341281 |
| Sodium channel protein type 8 subunit alpha | IC50 | = | 1030.0 | nM | 5.99 | Inhibition of human Nav1.6 expressed in HEK293 cells assessed as change in membr... | 19341281 |
| Unchecked | IC50 | = | 6700.0 | nM | 5.17 | Displacement of [3H]BW202W92 from voltage-gated sodium channel in Wistar rat for... | 19341281 |
| Unchecked | IC50 | = | 44200.0 | nM | 4.36 | Inhibition of voltage-gated sodium channel in Wistar rat forebrain synaptosomes ... | 19341281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 8 subunit alpha | 6 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 2 subunit alpha | 4 |
| 19341281 | 10.1021/jm801180p | NON-PROTEIN TARGET | 4 |
| 19341281 | 10.1021/jm801180p | Unchecked | 3 |
| 19341281 | 10.1021/jm801180p | Hippocampus | 1 |
| 19341281 | 10.1021/jm801180p | Cytochrome P450 2D6 | 1 |
| 19341281 | 10.1021/jm801180p | Cytochrome P450 1A2 | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 1 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 3 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 5 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 10 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 9 subunit alpha | 1 |
| 19341281 | 10.1021/jm801180p | Sodium channel protein type 4 subunit alpha | 1 |
| 24601592 | 10.1021/jm401881q | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine