Compound Detail
CHEMBL376007
SCHWEINFURTHIN F Enter ChEMBL ID:
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COc1cc(/C=C/c2cc(O)c(CC=C(C)C)c(O)c2)cc2c1O[C@]1(C)CC[C@@H](O)C(C)(C)[C@H]1C2
Basic Information
| ChEMBL ID | CHEMBL376007 |
| Name | SCHWEINFURTHIN F |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BUFNPAYKUGAAAO-HLULBIOLSA-N |
5
Targets
7
Activities
3
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
6.28
ALogP
5
HBA
3
HBD
79.2
PSA (Ų)
0.35
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.01
EC50 2 meas. best 6.62
Ki 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oxysterol-binding protein 1 CHEMBL4523203 | Ki | 8.22 | 8.22 | 6.0 | 1 |
| U-87 MG CHEMBL614247 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| U-87 MG CHEMBL614247 | EC50 | 6.62 | 6.62 | 240.0 | 1 |
| RPMI CHEMBL614856 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| A549 CHEMBL392 | IC50 | 6.22 | 6.22 | 605.0 | 1 |
| A549 CHEMBL392 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
| A2780cisR CHEMBL614023 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oxysterol-binding protein 1 | Ki | = | 6.0 | nM | 8.22 | Inhibition of human C-terminal 6-His tagged OSBP ORD domain (401 to 807 residues... | 37795600 |
| U-87 MG | IC50 | = | 98.0 | nM | 7.01 | Antiproliferative activity against human U-87 MG cells assessed as inhibition of... | 37795600 |
| U-87 MG | EC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human U87 cells after 72 hrs by MTS assay | 28972755 |
| RPMI | IC50 | = | 580.0 | nM | 6.24 | Inhibition of DNA synthesis in human RPMI cells by [3H]-thymidine incorporation ... | 17236766 |
| A549 | IC50 | = | 605.0 | nM | 6.22 | Antiproliferative activity against human A549 cells assessed as inhibition of ce... | 37795600 |
| A549 | EC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human A549 cells after 72 hrs by MTS assay | 28972755 |
| A2780cisR | IC50 | = | 5000.0 | nM | 5.3 | Antiproliferative activity against drug-sensitive human A2780 cells | 17326683 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17326683 | 10.1021/np060484y | A2780cisR | 1 |
| 17236766 | 10.1016/j.bmcl.2006.11.096 | NON-PROTEIN TARGET | 1 |
| 17236766 | 10.1016/j.bmcl.2006.11.096 | RPMI | 1 |
| 17236766 | 10.1016/j.bmcl.2006.11.096 | SNB-75 | 1 |
| 17236766 | 10.1016/j.bmcl.2006.11.096 | U-251 | 1 |
| 17236766 | 10.1016/j.bmcl.2006.11.096 | Hs-578T | 1 |
| 20869871 | 10.1016/j.bmcl.2010.08.143 | NON-PROTEIN TARGET | 1 |
| 24656801 | 10.1016/j.bmc.2014.02.043 | SF-295 | 1 |
| 28972755 | 10.1021/acs.jnatprod.7b00409 | A549 | 1 |
| 28972755 | 10.1021/acs.jnatprod.7b00409 | U-87 MG | 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