Compound Detail
CHEMBL223855
ALNIFOLIOL Enter ChEMBL ID:
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CC(C)=CCC/C(C)=C/Cc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)cc(O)c1O
Basic Information
| ChEMBL ID | CHEMBL223855 |
| Name | ALNIFOLIOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SSQQBMVHIQQAQB-HRNJHOTLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
426.5
MW (Da)
4.78
ALogP
6
HBA
5
HBD
110.4
PSA (Ų)
0.34
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780cisR CHEMBL614023 | IC50 | 4.56 | 4.56 | 27300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780cisR | IC50 | = | 27300.0 | nM | 4.56 | Antiproliferative activity against drug-sensitive human A2780 cells | 17326683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326683 | 10.1021/np060484y | A2780cisR | 1 |
Data from ChEMBL 36 via Core Engine