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Compound Detail

CHEMBL1097723

ARTONIN G
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CC(C)=CCc1c(O)cc2oc3c(cc4c5c(c(O)c(CC=C(C)C)c(O)c53)OC4(C)C)c(=O)c2c1O

Basic Information

ChEMBL ID CHEMBL1097723
Name ARTONIN G
Phase Preclinical
Structure Type MOL
InChI Key CHTFQGYVORQVFN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

502.6
MW (Da)
6.57
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H30O7
MW 502.56
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 1.96

Literature References

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

Data from ChEMBL 36 via Core Engine