Compound Detail
CHEMBL39043
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Basic Information
| ChEMBL ID | CHEMBL39043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YDNZJQWFOGASIE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
302.4
MW (Da)
3.86
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.54
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2095171 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibition of Voltage-gated sodium channel by the displacement of [3H]b... | 10229624 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]BTX-B from voltage gated sodium channel in rat cerebral cort... | 15588087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229624 | 10.1021/jm980556l | No relevant target | 1 |
| 10229624 | 10.1021/jm980556l | Sodium channel alpha subunits; brain (Types I, II, III) | 1 |
| 15588087 | 10.1021/jm040077o | Unchecked | 1 |
| 24332655 | 10.1016/j.bmc.2013.11.049 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine