Compound Detail
CHEMBL29134
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Basic Information
| ChEMBL ID | CHEMBL29134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDIZPCIWFUVLFQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
3.34
ALogP
2
HBA
2
HBD
54.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of [3H]BTX binding to cardiac voltage-gated sodium channel | 11170622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2299648 | 10.1021/jm00164a061 | Mus musculus | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 11170622 | 10.1021/jm000155h | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine