Compound Detail
CHEMBL1824992
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COc1ccc([C@@H]2CC(=O)c3c(O)ccc(OC(=O)CCC(=O)O[C@@H]4CC[C@]5(C)[C@H]6CC[C@H]7[C@@](C)(CC[C@H]8C(C)(C)[C@H](OC)CC[C@@]87C)CC6=CC[C@H]5C4(C)C)c3O2)cc1O
Basic Information
| ChEMBL ID | CHEMBL1824992 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUHGTXJWCQQHLZ-CSTRIBBCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
841.1
MW (Da)
10.86
ALogP
10
HBA
2
HBD
137.8
PSA (Ų)
0.15
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.33 | 6.33 | 473.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 473.0 | nM | 6.33 | Inhibition of TPA-induced EBV-early antigen activation in human Raji cells asses... | 21620532 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21620532 | 10.1016/j.ejmech.2011.04.062 | Unchecked | 5 |
| 21620532 | 10.1016/j.ejmech.2011.04.062 | Raji | 1 |
Data from ChEMBL 36 via Core Engine