Compound Detail
CHEMBL480626
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Basic Information
| ChEMBL ID | CHEMBL480626 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZODKRWQWUWGCD-UHFFFAOYSA-N |
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
222.3
MW (Da)
3.69
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.03 | 130.0 | 4 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 CHEMBL2401 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 CHEMBL3901 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 CHEMBL4693 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of Heliothis virescens SERCA expressed in Sf9 cells assessed as ATP d... | 21719297 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of rabbit hind leg tissue microsomes ATPase activity of SERCA assesse... | 19117760 |
| Unchecked | IC50 | = | 400.0 | nM | 6.4 | Inhibition of SERCA (unknown origin) | 32030976 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preinc... | 32030976 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincu... | 32030976 |
| Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincu... | 32030976 |
| Unchecked | IC50 | = | 37210.0 | nM | 4.43 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353727 | 10.1016/j.ejmech.2011.01.069 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 19117760 | 10.1016/j.bmc.2008.12.010 | Unchecked | 1 |
| 21719297 | 10.1016/j.bmc.2011.06.001 | Unchecked | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 | 1 |
| 32030976 | 10.1021/acs.jmedchem.9b01509 | Unchecked | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38318365 | 10.1016/j.isci.2024.108907 | Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 | 1 |
Data from ChEMBL 36 via Core Engine