Compound Detail
CHEMBL4876024
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Basic Information
| ChEMBL ID | CHEMBL4876024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFOYJOVLNWSNBH-UHFFFAOYSA-N |
| Parent Compound | CHEMBL5028972 |
| Active Moiety | CHEMBL5028972 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
393.3
MW (Da)
4.43
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.99 | 5.04 | 1020.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1020.0 | nM | 5.99 | Inhibition of sodium channel (unknown origin) expressed in HEK cells assessed as... | 33942619 |
| Unchecked | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of potassium channel (unknown origin) expressed in CHO cells assessed... | 33942619 |
| Unchecked | IC50 | = | 45100.0 | nM | 4.35 | Inhibition of sodium channel (unknown origin) expressed in HEK cells assessed as... | 33942619 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33942619 | 10.1021/acs.jmedchem.0c01545 | Unchecked | 11 |
Data from ChEMBL 36 via Core Engine