Compound Detail
CHEMBL1795577
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CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
Basic Information
| ChEMBL ID | CHEMBL1795577 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDWVSAYEQPLWMX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
424.7
MW (Da)
7.88
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of rabbit skeletal muscle sarco/endoplasmic reticulum calcium ATPase ... | 23643898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353727 | 10.1016/j.ejmech.2011.01.069 | Unchecked | 1 |
| 23643898 | 10.1016/j.bmc.2013.04.012 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine