Compound Detail
CHEMBL33846
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Basic Information
| ChEMBL ID | CHEMBL33846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKKDWPSOOQBWFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
338.0
MW (Da)
5.30
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.78
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.51 | 31000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 31000.0 | nM | 4.51 | Inhibition of rabbit skeletal muscle sarco/endoplasmic reticulum calcium ATPase ... | 23643898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23643898 | 10.1016/j.bmc.2013.04.012 | Unchecked | 2 |
| 12668007 | 10.1016/s0960-894x(03)00156-2 | Calcium-activated potassium channel subunit alpha-1 | 1 |
| 12668007 | 10.1016/s0960-894x(03)00156-2 | No relevant target | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Aspergillus fumigatus | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Trichophyton rubrum | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Trichophyton mentagrophytes | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Staphylococcus aureus | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Bacillus subtilis | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Micrococcus luteus | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Proteus vulgaris | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Salmonella typhimurium | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Escherichia coli | 1 |
| 19097894 | 10.1016/j.bmcl.2008.11.089 | Candida albicans | 1 |
| 31129054 | 10.1016/j.bmcl.2019.05.041 | Endoplasmic reticulum chaperone BiP | 1 |
Data from ChEMBL 36 via Core Engine