Compound Detail
CHEMBL4860330
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Basic Information
| ChEMBL ID | CHEMBL4860330 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONWJYXUDXAWHCJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5028115 |
| Active Moiety | CHEMBL5028115 |
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
205.3
MW (Da)
2.42
ALogP
2
HBA
1
HBD
35.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.13
EC50 2 meas. best 6.1
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 800.0 | nM | 6.1 | Antiarrhythmic activity in patient-derived hiPSC-CMs carrying LQT3 mutation asse... | 33942619 |
| Unchecked | IC50 | = | 7400.0 | nM | 5.13 | Inhibition of sodium channel (unknown origin) expressed in HEK cells assessed as... | 33942619 |
| Unchecked | EC50 | = | 8000.0 | nM | 5.1 | Antiarrhythmic activity in hiPSC-CMs assessed as prolongation of action potentia... | 33942619 |
| Unchecked | IC50 | = | 30100.0 | nM | 4.52 | Inhibition of potassium channel (unknown origin) expressed in CHO cells assessed... | 33942619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33942619 | 10.1021/acs.jmedchem.0c01545 | Unchecked | 12 |
Data from ChEMBL 36 via Core Engine