Compound Detail
CHEMBL1096217
YUANHUATIN Enter ChEMBL ID:
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C=C(C)[C@@]12OCO[C@@H]1[C@@H]1[C@@H]3O[C@]3(CO)[C@@H](O)[C@]3(O)C(=O)C(C)C[C@H]3[C@@]1(Oc1ccccc1)[C@H](C)[C@H]2OC(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL1096217 |
| Name | YUANHUATIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YIDJXVBIMGGUNX-DSFRSVAISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
606.7
MW (Da)
2.44
ALogP
10
HBA
3
HBD
144.3
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 60.0 | nM | 7.22 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 20192236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20192236 | 10.1021/np9005053 | RAW264.7 | 1 |
Data from ChEMBL 36 via Core Engine