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

CHEMBL1096733

ARTONIN O
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
C=C(C)[C@H]1Cc2c(oc3cc(O)c(CC=C(C)C)c(O)c3c2=O)C2=C1C(=O)C(O)=C(CC=C(C)C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096733
Name ARTONIN O
Phase Preclinical
Structure Type MOL
InChI Key RREWBAHJGHVXMY-GOSISDBHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
5.54
ALogP
7
HBA
3
HBD
125.0
PSA (Ų)
0.36
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C30H30O7
MW 502.56
Aromatic Rings 2
Heavy Atoms 37
NP-Likeness 2.21

Literature References

PubMed DOI Target Context # Activities
20384315 10.1021/np1002065 Nuclear factor NF-kappa-B p105 subunit 1
20384315 10.1021/np1002065 Transcription factor p65 1
20384315 10.1021/np1002065 HT-29 1

Data from ChEMBL 36 via Core Engine