Compound Detail
CHEMBL213853
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Basic Information
| ChEMBL ID | CHEMBL213853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAVCIWPHSSAORZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.2
MW (Da)
3.82
ALogP
4
HBA
3
HBD
87.7
PSA (Ų)
0.50
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 1 CHEMBL1846 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.21 | 5.21 | 6200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 1 | IC50 | = | 6000.0 | nM | 5.22 | Binding affinity to RYR1 channels by calcium mobilization assay | 18851910 |
| Unchecked | IC50 | = | 6200.0 | nM | 5.21 | Antagonist like activity at skeletal junction sarcoplasmic reticulum RyR1/FKBP12... | 16854055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16854055 | 10.1021/jm050708u | Unchecked | 1 |
| 18851910 | 10.1016/j.bmcl.2008.09.080 | Ryanodine receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine