Compound Detail
CHEMBL1765880
CHIMARRHININ Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(O[C@H]1[C@H]([C@@]2(c3ccc(O)c(O)c3)CC[C@H](Cc3ccc(O)c(O)c3)C(=O)O2)OC[C@@H]1O)c1cc(O)cc(O)c1
Basic Information
| ChEMBL ID | CHEMBL1765880 |
| Name | CHIMARRHININ |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBIPDNZXAWNFRY-VEKNWUCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
568.5
MW (Da)
2.30
ALogP
12
HBA
7
HBD
203.4
PSA (Ų)
0.17
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 7500.0 | nM | 5.12 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 21341711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21341711 | 10.1021/np1007476 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine