Compound Detail
CHEMBL2440854
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Basic Information
| ChEMBL ID | CHEMBL2440854 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGVCEGVSQDOGSB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
209.3
MW (Da)
2.23
ALogP
3
HBA
0
HBD
12.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 2 CHEMBL4403 | EC50 | 6.72 | 6.72 | 190.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 2 | EC50 | = | 190.0 | nM | 6.72 | Induction of FKBP12.6 re-binding to PKA-phosphorylated-RyR2 (unknown origin) aft... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | 5 |
| 33493827 | 10.1016/j.ejmech.2021.113160 | RyR1/FKBP12 | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Ryanodine receptor 2 | 2 |
| 24124794 | 10.1021/jm401090a | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | ADMET | 1 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine