Compound Detail
CHEMBL421669
PARETHOXYCAINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL421669 |
| Name | PARETHOXYCAINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OWWVHQUOYSPNNE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
265.4
MW (Da)
2.58
ALogP
4
HBA
0
HBD
38.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 3 meas. best 4.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium channel alpha subunits; brain (Types I, II, III) CHEMBL2096682 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.62 | 4.62 | 23988.3 | 2 |
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 | = | 24000.0 | nM | 4.62 | Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on vol... | 2579237 |
| Unchecked | IC50 | = | 24000.0 | nM | 4.62 | Displacement of [3H]-BTX-B from neuronal voltage-gated sodium channel in rat cer... | 19346132 |
| Unchecked | IC50 | = | 23988.33 | nM | 4.62 | Displacement of [3H]-BTX-B from neuronal voltage-gated sodium channel in rat cer... | 19346132 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2579237 | 10.1021/jm00381a019 | Sodium channel alpha subunits; brain (Types I, II, III) | 2 |
| 19346132 | 10.1016/j.bmc.2008.10.031 | Unchecked | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19346132 | 10.1016/j.bmc.2008.10.031 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine