Compound Detail
CHEMBL5398491
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Basic Information
| ChEMBL ID | CHEMBL5398491 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DWCJZFNOJLZMLM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
2.75
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ryanodine receptor 2 CHEMBL4403 | EC50 | 7.09 | 7.09 | 81.5 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 CHEMBL4523144 | EC50 | 5.07 | 5.07 | 8600.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.0008333 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ryanodine receptor 2 | EC50 | = | 81.5 | nM | 7.09 | Modulator activity at wild type RyR2 (unknown origin) expressed in HEK293T co-ex... | 37991191 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | EC50 | = | 8600.0 | nM | 5.07 | Activation of SERCA2a in mouse HL-1 cells assessed as increase in caffeine-induc... | 37991191 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | 4 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | ADMET | 1 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Unchecked | 1 |
| 37991191 | 10.1021/acs.jmedchem.3c01235 | Ryanodine receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine