Compound Detail
CHEMBL411344
SCHWEINFURTHIN H 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
COc1cc(/C=C/c2cc(O)c3c(c2)OC(C)(C)C(O)C3)cc2c1O[C@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL411344 |
| Name | SCHWEINFURTHIN H |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFLJGOACFXZRHJ-ZHIKFPNPSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
510.6
MW (Da)
4.11
ALogP
7
HBA
4
HBD
108.6
PSA (Ų)
0.46
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.18
Ki 1 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 6.4 | 6.4 | 401.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 6.18 | 6.18 | 656.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.75 | 5.75 | 1793.0 | 1 |
| A2780cisR CHEMBL614023 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterol-binding protein 1 | Ki | = | 401.0 | nM | 6.4 | Inhibition of human C-terminal 6-His tagged OSBP ORD domain (401 to 807 residues... | 37795600 |
| U-87 MG | IC50 | = | 656.0 | nM | 6.18 | Antiproliferative activity against human U-87 MG cells assessed as inhibition of... | 37795600 |
| A549 | IC50 | = | 1793.0 | nM | 5.75 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37795600 |
| A2780cisR | IC50 | = | 4500.0 | nM | 5.35 | Antiproliferative activity against drug-sensitive human A2780 cells | 17326683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326683 | 10.1021/np060484y | A2780cisR | 1 |
| 37795600 | 10.1021/acs.jmedchem.3c01298 | U-87 MG | 1 |
| 37795600 | 10.1021/acs.jmedchem.3c01298 | A549 | 1 |
| 37795600 | 10.1021/acs.jmedchem.3c01298 | Oxysterol-binding protein 1 | 1 |
Data from ChEMBL 36 via Core Engine