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

CHEMBL519080

SAUCERNEOL F
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@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)ccc1O[C@H](C)[C@@H](O)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL519080
Name SAUCERNEOL F
Phase Preclinical
Structure Type MOL
InChI Key XYQJFJKRYAIFAO-OAXIEFTGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
5.74
ALogP
8
HBA
1
HBD
84.8
PSA (Ų)
0.42
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H32O8
MW 520.58
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness 0.87

Activity Summary

IC50 2 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HT-29
CHEMBL384
 IC50 5.0 5.0 10000.0 1
HepG2
CHEMBL395
 IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HT-29 IC50 = 10000.0 nM 5.0 Cytotoxicity against human HT29 cells by MTT assay 18841903
HepG2 IC50 = 11000.0 nM 4.96 Cytotoxicity against human HEPG2 cells by MTT assay 18841903

Literature References

PubMed DOI Target Context # Activities
18841903 10.1021/np8002723 HT-29 1
18841903 10.1021/np8002723 MCF7 1
18841903 10.1021/np8002723 HepG2 1

Data from ChEMBL 36 via Core Engine