Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL223142

SCHWEINFURTHIN G
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
CC(C)=CCc1c(O)cc(/C=C/c2cc(O)c3c(c2)C[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)O3)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL223142
Name SCHWEINFURTHIN G
Phase Preclinical
Structure Type MOL
InChI Key CGJIPMVTBQUUQL-GEDZTWKOSA-N
3
Targets
5
Activities
2
Assay Types
2
PK Parameters
10
Publications
0
Known Names

Molecular Properties

464.6
MW (Da)
5.97
ALogP
5
HBA
4
HBD
90.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H36O5
MW 464.60
Aromatic Rings 2
Heavy Atoms 34
NP-Likeness 2.23

Activity Summary

IC50 3 meas. best 8.1
EC50 2 meas. best 7.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
U-87 MG
CHEMBL614247
 IC50 8.1 8.1 8.0 1
U-87 MG
CHEMBL614247
 EC50 7.35 7.35 45.0 1
A549
CHEMBL392
 IC50 6.45 6.45 359.0 1
A2780cisR
CHEMBL614023
 IC50 6.41 6.41 390.0 1
A549
CHEMBL392
 EC50 6.1 6.1 800.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 90.0 mL.min-1.g-1 Mus musculus
T1/2 0.1667 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
U-87 MG IC50 = 8.0 nM 8.1 Antiproliferative activity against human U-87 MG cells assessed as inhibition of... 37795600
U-87 MG EC50 = 45.0 nM 7.35 Antiproliferative activity against human U87 cells after 72 hrs by MTS assay 28972755
A549 IC50 = 359.0 nM 6.45 Antiproliferative activity against human A549 cells assessed as inhibition of ce... 37795600
A2780cisR IC50 = 390.0 nM 6.41 Antiproliferative activity against drug-sensitive human A2780 cells 17326683
A549 EC50 = 800.0 nM 6.1 Antiproliferative activity against human A549 cells after 72 hrs by MTS assay 28972755

Literature References

PubMed DOI Target Context # Activities
37795600 10.1021/acs.jmedchem.3c01298 Oxysterol-binding protein 1 5
37795600 10.1021/acs.jmedchem.3c01298 ADMET 5
37795600 10.1021/acs.jmedchem.3c01298 U-87 MG 4
37795600 10.1021/acs.jmedchem.3c01298 mTORC1 2
17326683 10.1021/np060484y A2780cisR 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 A549 1
37795600 10.1021/acs.jmedchem.3c01298 mTORC2 1

Data from ChEMBL 36 via Core Engine