Compound Detail
CHEMBL3104950
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
COc1ccc([C@H]2O[C@@H](c3cc(OC)c4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC
Basic Information
| ChEMBL ID | CHEMBL3104950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCVPIUIGBBJALE-WVGOSAFVSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
4.53
ALogP
6
HBA
0
HBD
55.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.43 | 4.25 | 37200.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 37200.0 | nM | 4.43 | Antiplatelet activity against New Zealand white rabbit platelets assessed as inh... | 24387347 |
| NON-PROTEIN TARGET | IC50 | = | 56000.0 | nM | 4.25 | Antiplatelet activity against New Zealand white rabbit platelets assessed as inh... | 24387347 |
| NON-PROTEIN TARGET | IC50 | = | 85000.0 | nM | 4.07 | Antiplatelet activity against New Zealand white rabbit platelets assessed as inh... | 24387347 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24387347 | 10.1021/np400772h | NON-PROTEIN TARGET | 6 |
Data from ChEMBL 36 via Core Engine