Compound Detail
CHEMBL4284819
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Basic Information
| ChEMBL ID | CHEMBL4284819 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLCMCSRITHGBDP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
491.9
MW (Da)
4.43
ALogP
6
HBA
2
HBD
97.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel protein type 3 subunit alpha CHEMBL5163 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel protein type 3 subunit alpha | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human NaV1.3 expressed in HEK cells by electrophysiological method | 30108836 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108836 | 10.1039/C7MD00131B | Sodium channel protein type 3 subunit alpha | 1 |
| 30108836 | 10.1039/C7MD00131B | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine