Compound Detail
CHEMBL388127
EXCISUSIN D Enter ChEMBL ID:
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C=C1C(=O)[C@]23C[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]1(C)[C@H]([C@@H](O)C3)C(C)(C)[C@@H](O)C[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL388127 |
| Name | EXCISUSIN D |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TTWNFHXEDVDVHV-DRZGNELRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
392.5
MW (Da)
1.61
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 5.54 | 5.515 | 2890.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 2890.0 | nM | 5.54 | Inhibition of NO production in LPS-stimulated RAW264.7 cells after 24 hrs | 17338565 |
| RAW264.7 | IC50 | = | 3210.0 | nM | 5.49 | Inhibition of NF-kappaB activation in LPS-stimulated RAW264.7 cells after 24 hrs | 17338565 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17338565 | 10.1021/np060638+ | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine