Compound Detail
CHEMBL1630579
MYRTECAINE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL1630579 |
| Name | MYRTECAINE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BZRYYBWNOUALTQ-UHFFFAOYSA-N |
3
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
2
Known Names
Molecular Properties
265.4
MW (Da)
3.73
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
EC50 2 meas. best 4.85
IC50 1 meas. best 5.23
Ki 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | Ki | 5.32 | 5.32 | 4835.7 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.23 | 5.23 | 5902.4 | 1 |
| Trypanosoma cruzi CHEMBL368 | EC50 | 4.85 | 4.85 | 14000.0 | 1 |
| ADMET CHEMBL612558 | EC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated inwardly rectifying potassium channel KCNH2 | Ki | = | 4835.7 | nM | 5.32 | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | - |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 5902.4 | nM | 5.23 | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | - |
| Trypanosoma cruzi | EC50 | = | 14000.0 | nM | 4.85 | Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BESM... | 20547819 |
| ADMET | EC50 | = | 24000.0 | nM | 4.62 | Cytotoxicity against BESM cells after 88 hrs by HTS assay | 20547819 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 467 |
| 20547819 | 10.1128/aac.01777-09 | ADMET | 1 |
| 20547819 | 10.1128/aac.01777-09 | Trypanosoma cruzi | 1 |
| 20547819 | 10.1128/aac.01777-09 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine