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Compound Detail

CHEMBL1094755

ARTONIN N
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C=C(C)c1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2c2c(O)c3c(c(O)c12)OC(C)(C)C=C3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094755
Name ARTONIN N
Phase Preclinical
Structure Type MOL
InChI Key LLUXECPYCJLZIY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
6.65
ALogP
7
HBA
4
HBD
120.4
PSA (Ų)
0.11
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H28O7
MW 500.55
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness 2.54

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